| CAS Number | 439111-81-6 |
| Catalog Number | AG00IYTY(AGN-PC-0WAW9M) |
| Chemical Name | 3-(2-Chlorobenzamido)thiophene-2-carboxylic acid |
| IUPAC Name | 3-[(2-chlorobenzoyl)amino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3S/c13-8-4-2-1-3-7(8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17) |
| InChI Key | DFOQJQLRPKSGPU-UHFFFAOYSA-N |
| MDL Number | MFCD03012475 |
| Molecular Formula | C12H8ClNO3S |
| Molecular Weight | 281.7148 |
| SMILES | OC(C1=C(NC(C2=C(Cl)C=CC=C2)=O)C=CS1)=O |
| Synonyms | 439111-81-6,
3-[(2-chlorobenzoyl)amino]thiophene-2-carboxylic Acid,
3-(2-chlorobenzamido)thiophene-2-carboxylic acid,
3-[(2-chlorobenzoyl)amino]-2-thiophenecarboxylic acid,
AC1LSBML,
AC1Q72EX,
Oprea1_572142,
MLS001165940,
CHEMBL1712653,
CTK7J1477,
KS-00001ZVK,
HMS2865D16,
ZINC3888074,
MFCD03012475,
AKOS000117439,
MCULE-3483657587,
NE59829,
SMR000550198,
EN300-10249,
7R-1334,
CID1485386,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.71g/mol |
| Monoisotopic Mass | 280.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number