| CAS Number | 1095010-36-8 |
| Catalog Number | AG007T0K(AGN-PC-05T2WU) |
| Chemical Name | 6-Bromo-4-Methylquinoline-3-carboxylic acid |
| IUPAC Name | 6-bromo-4-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c1-6-8-4-7(12)2-3-10(8)13-5-9(6)11(14)15/h2-5H,1H3,(H,14,15) |
| InChI Key | JWZOKLNGXQIFLK-UHFFFAOYSA-N |
| MDL Number | MFCD11052869 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | Brc1ccc2c(c1)c(C)c(cn2)C(=O)O |
| Synonyms | 6-Bromo-4-Methylquinoline-3-carboxylic acid,
1095010-36-8,
SCHEMBL20495103,
CTK8E5371,
DTXSID20653673,
MFCD11052869,
ZINC32099830,
AKOS023252219,
OR309283,
DB-059914,
RT-017134,
FT-0730578,
T6160,
6-Bromo-4-Methylquinoline-3-carboxylic acid, AldrichCPR,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-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