| CAS Number | 1120249-21-9 |
| Catalog Number | AG01DUZG |
| Chemical Name | 6-Bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid |
| IUPAC Name | 6-bromo-1-methyl-2-oxoquinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO3/c1-13-9-3-2-6(12)4-7(9)8(11(15)16)5-10(13)14/h2-5H,1H3,(H,15,16) |
| InChI Key | LCGBRNZEIRMQMS-UHFFFAOYSA-N |
| MDL Number | MFCD11983360 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | CN1C2=C(C=C(C=C2)Br)C(C(O)=O)=CC1=O |
| Synonyms | 6-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid,
1120249-21-9,
6-bromo-1-methyl-2-oxohydroquinoline-4-carboxylic acid,
LCGBRNZEIRMQMS-UHFFFAOYSA-N,
SBB019409,
STK695494,
ZINC34929210,
AKOS005606591,
MCULE-8630943123,
ST4148034,
6-bromo-1-methyl-2-oxoquinoline-4-carboxylic acid,
|
| Complexity | 366 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.093g/mol |
| Monoisotopic Mass | 280.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number