| CAS Number | 890988-63-3 |
| Catalog Number | AG019NBO |
| Chemical Name | 3-[2-(4-bromophenyl)acetamido]benzoic acid |
| IUPAC Name | 3-[[2-(4-bromophenyl)acetyl]amino]benzoic acid |
| InChI | InChI=1S/C15H12BrNO3/c16-12-6-4-10(5-7-12)8-14(18)17-13-3-1-2-11(9-13)15(19)20/h1-7,9H,8H2,(H,17,18)(H,19,20) |
| InChI Key | UBLREUAUMUDFTP-UHFFFAOYSA-N |
| MDL Number | MFCD07113168 |
| Molecular Formula | C15H12BrNO3 |
| Molecular Weight | 334.1647 |
| SMILES | OC(C1=CC(NC(CC2=CC=C(Br)C=C2)=O)=CC=C1)=O |
| Synonyms | 3-{[(4-bromophenyl)acetyl]amino}benzoic acid,
3-[2-(4-bromophenyl)acetamido]benzoic acid,
890988-63-3,
AC1O5GQ9,
3-[[2-(4-bromophenyl)acetyl]amino]benzoic Acid,
AC1Q731Y,
CTK7G6724,
ZINC6701542,
STK276462,
AKOS000138387,
MCULE-5912372927,
NE31996,
EN300-39919,
Z85877655,
3-([(4-bromophenyl)acetyl]amino)benzoic acid, AldrichCPR,
CID6457817,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.169g/mol |
| Monoisotopic Mass | 333g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number