| CAS Number | 884534-46-7 |
| Catalog Number | AG019UBB(AGN-PC-015XF0) |
| Chemical Name | 3-[(4-Bromobenzoyl)amino]thiophene-2-carboxylic acid |
| IUPAC Name | 3-[(4-bromobenzoyl)amino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H8BrNO3S/c13-8-3-1-7(2-4-8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17) |
| InChI Key | ZYSJJWWEKZMADT-UHFFFAOYSA-N |
| MDL Number | MFCD09050874 |
| Molecular Formula | C12H8BrNO3S |
| Molecular Weight | 326.1658 |
| SMILES | OC(C1=C(NC(C2=CC=C(Br)C=C2)=O)C=CS1)=O |
| Synonyms | 3-(4-bromobenzamido)thiophene-2-carboxylic acid,
884534-46-7,
3-[(4-bromobenzoyl)amino]thiophene-2-carboxylic acid,
AC1Q72EO,
SCHEMBL4743665,
CTK5I7097,
ZINC22150700,
AKOS000134315,
MCULE-5751947616,
NE17902,
EN300-41165,
3-[(4-bromobenzene)amido]thiophene-2-carboxylic acid,
Z425389708,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.164g/mol |
| Monoisotopic Mass | 324.941g/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