| CAS Number | 923715-61-1 |
| Catalog Number | AG019W0O(AGN-PC-0WO1BI) |
| Chemical Name | 7-BROMO-2-METHYLQUINOLINE-4-CARBOXYLIC ACID |
| IUPAC Name | 7-bromo-2-methylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | CCSVETPERRNKDU-UHFFFAOYSA-N |
| MDL Number | MFCD08444736 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | CC1=NC2=C(C=CC(=C2)Br)C(C(O)=O)=C1 |
| Synonyms | 7-bromo-2-methylquinoline-4-carboxylic acid,
923715-61-1,
AC1Q2P7G,
SCHEMBL12045723,
CTK5I8235,
CCSVETPERRNKDU-UHFFFAOYSA-N,
ZINC19802366,
AKOS000195406,
MCULE-1795804991,
NE30073,
EN300-50068,
Z228588418,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number