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9-Bromo-3-(2-bromoacetyl)-10, 11-dihydro-5H-dibenzo[c, g]chromen-8(9H)-one
Basic Description
Specifications & Purity | ≥97% |
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Names and Identifiers
IUPAC Name | 9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one |
INCHI | InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2 |
InChi Key | NVSLOKHCHIFJDR-UHFFFAOYSA-N |
Canonical SMILES | C1CC2=CC3=C(C=C2C(=O)C1Br)OCC4=C3C=CC(=C4)C(=O)CBr |
Isomeric SMILES | C1CC2=CC3=C(C=C2C(=O)C1Br)OCC4=C3C=CC(=C4)C(=O)CBr |
PubChem CID | 86688372 |
Molecular Weight | 450.12 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 450.100 g/mol |
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XLogP3 | 4.600 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 2 |
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Exact Mass | 449.929 Da |
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Monoisotopic Mass | 447.931 Da |
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Topological Polar Surface Area | 43.400 Ų |
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Heavy Atom Count | 24 |
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Formal Charge | 0 |
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Complexity | 523.000 |
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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 | 1 |
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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)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. |
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