| CAS Number | 926237-52-7 |
| Catalog Number | AG019WB5(AGN-PC-0WODE5) |
| Chemical Name | 5-bromo-2-methylquinoline-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-methylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2/c1-6-5-7(11(14)15)10-8(12)3-2-4-9(10)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | DCPYASDBSDKDGO-UHFFFAOYSA-N |
| MDL Number | MFCD08442317 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | CC1=NC2=C(C(=CC=C2)Br)C(C(O)=O)=C1 |
| Synonyms | 5-bromo-2-methylquinoline-4-carboxylic acid,
926237-52-7,
AC1Q2P56,
CHEMBL3465976,
CTK6C4291,
ZINC21951465,
AKOS000125397,
MCULE-6938564507,
NE52649,
EN300-51304,
|
| 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