| CAS Number | 610277-19-5 |
| Catalog Number | AG00EKAC |
| Chemical Name | 7-Bromo-2-methylquinoline-3-carboxylic acid |
| IUPAC Name | 7-bromo-2-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c1-6-9(11(14)15)4-7-2-3-8(12)5-10(7)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | MNECBPMUKCWRSJ-UHFFFAOYSA-N |
| MDL Number | MFCD06254448 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | CC1=C(C(O)=O)C=C2C(C=C(C=C2)Br)=N1 |
| Synonyms | 7-bromo-2-methylquinoline-3-carboxylic acid,
610277-19-5,
AC1NHDDM,
CTK8E5487,
DTXSID30406197,
ZINC8548455,
MFCD06254448,
AKOS002665920,
AB23690,
OR309221,
DB-072890,
RT-010774,
FT-0751328,
T6581,
CID4738333,
7-bromo-2-methyl-quinoline-3-carboxylic Acid,
7-BROMO-2-METHYLQUINOLINE-3-CARBOXYLICACID,
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| 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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Certificate of Analysis
Lot Number