| CAS Number | 1334304-98-1 |
| Catalog Number | AG019EQN |
| Chemical Name | 6-Bromo-2-methylquinoline-8-carboxylic acid |
| IUPAC Name | 6-bromo-2-methylquinoline-8-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c1-6-2-3-7-4-8(12)5-9(11(14)15)10(7)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | JKUQUNPDGSDYSA-UHFFFAOYSA-N |
| MDL Number | MFCD27943759 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | Brc1cc2ccc(nc2c(c1)C(=O)O)C |
| Synonyms | 6-Bromo-2-methylquinoline-8-carboxylic acid,
1334304-98-1,
MFCD27943759,
ZINC230457253,
TZ001191,
8-Quinolinecarboxylicacid,6-bromo-2-methyl-,
CS-0035967,
8-Quinolinecarboxylic acid, 6-bromo-2-methyl-,
|
| 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
Certificate of Analysis
Lot Number