| CAS Number | 1189107-54-7 |
| Catalog Number | AG0093I7(AGN-PC-0WR1NF) |
| Chemical Name | 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid |
| IUPAC Name | 7-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO3/c1-5-8(12)3-2-6-9(5)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16) |
| InChI Key | CSCYIJACNBZKHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12674984 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | OC(=O)c1cnc2c(c1O)ccc(c2C)Br |
| Synonyms | 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid,
1189107-54-7,
SCHEMBL15053880,
CTK8E5497,
CTK8F7258,
DTXSID80670927,
MFCD12674984,
ZINC36075579,
OR309310,
T6263,
7-Bromo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid, AldrichCPR,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.093g/mol |
| Monoisotopic Mass | 280.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number