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3-Carboxy-2-fluorophenylboronic acid - 96%, high purity , CAS No.1072952-09-0
Basic Description
| Synonyms | 1072952-09-0 | 3-borono-2-fluorobenzoic acid | 3-CARBOXY-2-FLUOROPHENYLBORONIC ACID | 2-Fluoro-3-carboxyphenylboronic acid | 3-borono-2-fluoro-benzoic Acid | MFCD03095128 | SCHEMBL1932772 | DTXSID30402533 | 2-Fluoro-3-carboxyphenylboronicacid | AKOS006344768 | AB13503 | AM8627 |
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| Specifications & Purity | ≥96% |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 3-borono-2-fluorobenzoic acid |
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| INCHI | InChI=1S/C7H6BFO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,12-13H,(H,10,11) |
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| InChi Key | DLSFOCMCMFDBOG-UHFFFAOYSA-N |
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| Canonical SMILES | B(C1=C(C(=CC=C1)C(=O)O)F)(O)O |
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| Isomeric SMILES | B(C1=C(C(=CC=C1)C(=O)O)F)(O)O |
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| PubChem CID | 4372775 |
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| Molecular Weight | 183.9 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 183.930 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 3 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 2 |
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| Exact Mass | 184.034 Da |
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| Monoisotopic Mass | 184.034 Da |
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| Topological Polar Surface Area | 77.800 Ų |
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| Heavy Atom Count | 13 |
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| Formal Charge | 0 |
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| Complexity | 199.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P362:Take off contaminated clothing. P337+P313:IF eye irritation persists: Get medical advice/attention. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P304+P340+P312: IF INHALED: Remove person to fresh air and keep comfortable for breathing.Call a POISON CENTER or doctor. if you feel unwell. |
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