| CAS Number | 902742-60-3 |
| Catalog Number | AG00IG24(AGN-PC-0WO97W) |
| Chemical Name | 8-Bromo-4-chloroquinoline-2-carboxylic acid |
| IUPAC Name | 8-bromo-4-chloroquinoline-2-carboxylic acid |
| InChI | InChI=1S/C10H5BrClNO2/c11-6-3-1-2-5-7(12)4-8(10(14)15)13-9(5)6/h1-4H,(H,14,15) |
| InChI Key | XJSCPJJDMUJYMC-UHFFFAOYSA-N |
| MDL Number | MFCD06810536 |
| Molecular Formula | C10H5BrClNO2 |
| Molecular Weight | 286.5092 |
| SMILES | OC(C1=NC2=C(C=CC=C2Br)C(Cl)=C1)=O |
| Synonyms | 8-bromo-4-chloroquinoline-2-carboxylic acid,
902742-60-3,
ZINC68577529,
AKOS012682753,
MCULE-1635619884,
NE53702,
EN300-84120,
Z1675047621,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.509g/mol |
| Monoisotopic Mass | 284.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number