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7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole - 97%, high purity , CAS No.1186334-64-4
Basic Description
| Synonyms | 1186334-64-4 | 7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole | 7-FLUORO-1H-INDAZOLE-4-BORONIC ACID PINACOL ESTER | SCHEMBL3497188 | RAQASWRRBFTDND-UHFFFAOYSA-N | MFCD19687061 | AKOS027253749 | SB16074 | AS-51424 | CS-0050026 | P12648 | EN300-7416923 | Z204 |
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| Specifications & Purity | ≥97% |
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| Storage Temp | Room temperature |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
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| INCHI | InChI=1S/C13H16BFN2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11-8(9)7-16-17-11/h5-7H,1-4H3,(H,16,17) |
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| InChi Key | RAQASWRRBFTDND-UHFFFAOYSA-N |
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| Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)F |
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| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)F |
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| PubChem CID | 57497326 |
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| Molecular Weight | 262.088 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 262.089 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 262.129 Da |
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| Monoisotopic Mass | 262.129 Da |
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| Topological Polar Surface Area | 47.100 Ų |
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| Heavy Atom Count | 19 |
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| Formal Charge | 0 |
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| Complexity | 351.000 |
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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 H302:Harmful if swallowed |
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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. |
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