| CAS Number | 926208-28-8 |
| Catalog Number | AG019UBV |
| Chemical Name | 5-(3-Fluorobenzamido)-3-methylthiophene-2-carboxylic acid |
| IUPAC Name | 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H10FNO3S/c1-7-5-10(19-11(7)13(17)18)15-12(16)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18) |
| InChI Key | FVCZUJLHRJCQLC-UHFFFAOYSA-N |
| MDL Number | MFCD09046302 |
| Molecular Formula | C13H10FNO3S |
| Molecular Weight | 279.2868 |
| SMILES | CC1=C(C(O)=O)SC(NC(C2=CC(F)=CC=C2)=O)=C1 |
| Synonyms | 5-(3-fluorobenzamido)-3-methylthiophene-2-carboxylic acid,
926208-28-8,
5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid,
AC1Q2GGP,
CTK7C1598,
ZINC21965530,
AKOS000130465,
MCULE-5188058831,
NE28362,
EN300-41197,
Z425389738,
5-[(3-fluorobenzene)amido]-3-methylthiophene-2-carboxylic acid,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.285g/mol |
| Monoisotopic Mass | 279.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number