| CAS Number | 1016828-19-5 |
| Catalog Number | AG019UDT |
| Chemical Name | 3-([(4-Bromophenyl)acetyl]amino)thiophene-2-carboxylic acid |
| IUPAC Name | 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H10BrNO3S/c14-9-3-1-8(2-4-9)7-11(16)15-10-5-6-19-12(10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18) |
| InChI Key | RWOCJQKCBJGZJA-UHFFFAOYSA-N |
| MDL Number | MFCD09948668 |
| Molecular Formula | C13H10BrNO3S |
| Molecular Weight | 340.1924 |
| SMILES | OC(C1=C(NC(CC2=CC=C(Br)C=C2)=O)C=CS1)=O |
| Synonyms | 3-[2-(4-bromophenyl)acetamido]thiophene-2-carboxylic acid,
1016828-19-5,
3-{[(4-bromophenyl)acetyl]amino}thiophene-2-carboxylic acid,
AC1Q72FN,
CTK7G8149,
ZINC19514938,
AKOS000192056,
MCULE-9604451883,
NE25215,
EN300-41342,
Z425449770,
3-([(4-bromophenyl)acetyl]amino)thiophene-2-carboxylic acid,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.191g/mol |
| Monoisotopic Mass | 338.956g/mol |
| Rotatable Bond Count | 4 |
| 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