| CAS Number | 1597297-10-3 |
| Catalog Number | AG01FU0E(AGN-PC-3H60EM) |
| Chemical Name | 8-Bromo-4-methoxyquinoline-2-carboxylic acid |
| IUPAC Name | 8-bromo-4-methoxyquinoline-2-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,1H3,(H,14,15) |
| InChI Key | YEHILQHIMXEIOE-UHFFFAOYSA-N |
| MDL Number | MFCD30528618 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | O=C(C1=NC2=C(Br)C=CC=C2C(OC)=C1)O |
| Synonyms | 8-Bromo-4-methoxyquinoline-2-carboxylic acid,
1597297-10-3,
ZINC230097444,
AK673397,
AX8338401,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.96876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.09g/mol |
| Monoisotopic Mass | 280.96876g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number