| CAS Number | 926186-87-0 |
| Catalog Number | AG019V70 |
| Chemical Name | 3-(2-iodobenzamido)thiophene-2-carboxylic acid |
| IUPAC Name | 3-[(2-iodobenzoyl)amino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H8INO3S/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 | WZAGCOMMUUUZHI-UHFFFAOYSA-N |
| MDL Number | MFCD09049716 |
| Molecular Formula | C12H8INO3S |
| Molecular Weight | 373.1663 |
| SMILES | OC(C1=C(NC(C2=C(I)C=CC=C2)=O)C=CS1)=O |
| Synonyms | 3-(2-iodobenzamido)thiophene-2-carboxylic acid,
926186-87-0,
3-[(2-iodobenzene)amido]thiophene-2-carboxylic acid,
AC1Q72EI,
CTK7J1479,
ZINC22146690,
AKOS000133217,
MCULE-4429824541,
NE14206,
EN300-43941,
3-[(2-IODOBENZOYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.164g/mol |
| Monoisotopic Mass | 372.927g/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