| CAS Number | 379254-57-6 |
| Catalog Number | AG019GG7 |
| Chemical Name | 4-Chloro-3-(thiophene-2-carboxamido)benzoic acid |
| IUPAC Name | 4-chloro-3-(thiophene-2-carbonylamino)benzoic acid |
| InChI | InChI=1S/C12H8ClNO3S/c13-8-4-3-7(12(16)17)6-9(8)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17) |
| InChI Key | IZVSYFRATKXUQC-UHFFFAOYSA-N |
| MDL Number | MFCD03147268 |
| Molecular Formula | C12H8ClNO3S |
| Molecular Weight | 281.7148 |
| SMILES | OC(C1=CC(NC(C2SC=CC=2)=O)=C(Cl)C=C1)=O |
| Synonyms | 379254-57-6,
4-chloro-3-(thiophene-2-amido)benzoic acid,
4-Chloro-3-[(thiophene-2-carbonyl)-amino]-benzoic acid,
4-Chloro-3-(thiophene-2-carboxamido)benzoic acid,
Oprea1_251982,
CTK6H1260,
ZINC1050363,
AKOS000105274,
MCULE-6308511847,
NE28842,
EN300-00042,
SR-01000290368,
SR-01000290368-1,
Z56909724,
AC1LOMKD,
AC1Q738M,
CID1242768,
4-chloro-3-(thiophene-2-carbonylamino)benzoic Acid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.991342g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.72g/mol |
| Monoisotopic Mass | 280.991342g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number