| CAS Number | 926228-57-1 |
| Catalog Number | AG019U95 |
| Chemical Name | 5-(2-chlorobenzamido)-3-methylthiophene-2-carboxylic acid |
| IUPAC Name | 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO3S/c1-7-6-10(19-11(7)13(17)18)15-12(16)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16)(H,17,18) |
| InChI Key | ZWWUYGVPPJUZQO-UHFFFAOYSA-N |
| MDL Number | MFCD09048227 |
| Molecular Formula | C13H10ClNO3S |
| Molecular Weight | 295.7414 |
| SMILES | CC1=C(C(O)=O)SC(NC(C2=C(Cl)C=CC=C2)=O)=C1 |
| Synonyms | 5-(2-chlorobenzamido)-3-methylthiophene-2-carboxylic acid,
926228-57-1,
5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid,
AC1Q2GGN,
CTK7F8880,
ZINC22143117,
AKOS000131684,
MCULE-5858561767,
NE46577,
EN300-40972,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.737g/mol |
| Monoisotopic Mass | 295.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number