| CAS Number | 878465-86-2 |
| Catalog Number | AG00GUG0 |
| Chemical Name | 2-[(Thien-3-ylcarbonyl)amino]benzoic acid |
| IUPAC Name | 2-(thiophene-3-carbonylamino)benzoic acid |
| InChI | InChI=1S/C12H9NO3S/c14-11(8-5-6-17-7-8)13-10-4-2-1-3-9(10)12(15)16/h1-7H,(H,13,14)(H,15,16) |
| InChI Key | JVNPVDJFOUFLKM-UHFFFAOYSA-N |
| MDL Number | MFCD08245266 |
| Molecular Formula | C12H9NO3S |
| Molecular Weight | 247.2698 |
| SMILES | O=C(O)C1=CC=CC=C1NC(C2=CSC=C2)=O |
| Synonyms | 2-[(thien-3-ylcarbonyl)amino]benzoic acid,
2-(thiophene-3-amido)benzoic acid,
878465-86-2,
AC1Q72FF,
CTK7G0196,
ZINC8231196,
AKOS009087037,
MCULE-5019354440,
NE35537,
2-(Thiophene-3-carboxamido)benzoic acid,
EN300-24080,
AB00750061-01,
J-507620,
Z188924114,
CID9361744,
2-(thiophene-3-carbonylamino)benzoic Acid,
Benzoic acid, 2-[(3-thienylcarbonyl)amino],
3-(8-methyl-4-oxoquinazolin-3(4H)-yl)propanoic acid,
923723-55-1,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.268g/mol |
| Monoisotopic Mass | 247.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number