| CAS Number | 329265-48-7 |
| Catalog Number | AG00C6VX |
| Chemical Name | 2-(2,3,4-Trichlorophenyl)quinoline-4-carboxylic acid |
| IUPAC Name | 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylic acid |
| InChI | InChI=1S/C16H8Cl3NO2/c17-11-6-5-9(14(18)15(11)19)13-7-10(16(21)22)8-3-1-2-4-12(8)20-13/h1-7H,(H,21,22) |
| InChI Key | SCKITHFBZAOYKO-UHFFFAOYSA-N |
| MDL Number | MFCD02709173 |
| Molecular Formula | C16H8Cl3NO2 |
| Molecular Weight | 352.5992 |
| SMILES | O=C(C1=CC(C2=CC=C(Cl)C(Cl)=C2Cl)=NC3=CC=CC=C13)O |
| Synonyms | 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylic Acid,
2-(2,3,4-Trichloro-phenyl)-quinoline-4-carboxylic acid,
329265-48-7,
AC1M58OP,
Oprea1_033936,
AC1Q72W0,
CTK7I7145,
ZINC3198668,
AKOS000114788,
MCULE-3567936884,
NE12238,
EN300-00807,
AB00710210-01,
J-505443,
Z56793978,
CID2324362,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.595g/mol |
| Monoisotopic Mass | 350.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number