| CAS Number | 207231-25-2 |
| Catalog Number | AG00I3YV(AGN-PC-0JK26H) |
| Chemical Name | 4-Chloro-6,7,8-trifluoroquinoline-3-carboxylic acid |
| IUPAC Name | 4-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H3ClF3NO2/c11-6-3-1-5(12)7(13)8(14)9(3)15-2-4(6)10(16)17/h1-2H,(H,16,17) |
| InChI Key | NJZRDDAKYGCCPV-UHFFFAOYSA-N |
| MDL Number | MFCD26407031 |
| Molecular Formula | C10H3ClF3NO2 |
| Molecular Weight | 261.5845 |
| SMILES | O=C(C1=C(Cl)C2=CC(F)=C(F)C(F)=C2N=C1)O |
| Synonyms | 4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLIC ACID,
207231-25-2,
BBL036729,
MFCD26407031,
ZINC95835467,
AKOS027252589,
AS-42317,
X-2772,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.584g/mol |
| Monoisotopic Mass | 260.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number