| CAS Number | 1395493-26-1 |
| Catalog Number | AG001B8P(AGN-PC-0WD319) |
| Chemical Name | Methyl 3-bromo-4-hydroxyquinoline-6-carboxylate |
| IUPAC Name | methyl 3-bromo-4-oxo-1H-quinoline-6-carboxylate |
| InChI | InChI=1S/C11H8BrNO3/c1-16-11(15)6-2-3-9-7(4-6)10(14)8(12)5-13-9/h2-5H,1H3,(H,13,14) |
| InChI Key | WLIGBCRSJPGWNK-UHFFFAOYSA-N |
| MDL Number | MFCD22565700 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | COC(=O)c1cc2c(O)c(Br)cnc2cc1 |
| Synonyms | METHYL 3-BROMO-4-HYDROXYQUINOLINE-6-CARBOXYLATE,
Methyl 3-bromo-4-oxo-1,4-dihydroquinoline-6-carboxylate,
1395493-26-1,
1395493-07-8,
3-Bromo-4-hydroxy-quinoline-6-carboxylic acid methyl ester,
ZINC95705159,
AKOS022172199,
AKOS022172295,
QC-8656,
QC-8666,
AJ-133646,
AX8259185,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.093g/mol |
| Monoisotopic Mass | 280.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number