| CAS Number | 1564924-85-1 |
| Catalog Number | AG01BBQC |
| Chemical Name | 3-Bromoquinoline-2-carboxylic acid |
| IUPAC Name | 3-bromoquinoline-2-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO2/c11-7-5-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-5H,(H,13,14) |
| InChI Key | CWLWJWAETQLUHB-UHFFFAOYSA-N |
| MDL Number | MFCD26050797 |
| Molecular Formula | C10H6BrNO2 |
| Molecular Weight | 252.0641 |
| SMILES | OC(C1=C(Br)C=C2C(C=CC=C2)=N1)=O |
| Synonyms | 3-bromoquinoline-2-carboxylic acid,
1564924-85-1,
SCHEMBL1352634,
AKOS033769216,
ZINC115942012,
Z2130641144,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.067g/mol |
| Monoisotopic Mass | 250.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number