| CAS Number | 609798-04-1 |
| Catalog Number | AG019NCC |
| Chemical Name | 3-[(4-bromobenzoyl)amino]-4-methylbenzoic acid |
| IUPAC Name | 3-[(4-bromobenzoyl)amino]-4-methylbenzoic acid |
| InChI | InChI=1S/C15H12BrNO3/c1-9-2-3-11(15(19)20)8-13(9)17-14(18)10-4-6-12(16)7-5-10/h2-8H,1H3,(H,17,18)(H,19,20) |
| InChI Key | QTRSMHUVAPFRDQ-UHFFFAOYSA-N |
| MDL Number | MFCD01158933 |
| Molecular Formula | C15H12BrNO3 |
| Molecular Weight | 334.1647 |
| SMILES | CC1=C(NC(C2=CC=C(Br)C=C2)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-(4-bromobenzamido)-4-methylbenzoic acid,
609798-04-1,
3-[(4-bromobenzoyl)amino]-4-methylbenzoic acid,
AC1Q2FQR,
AC1LHV99,
Oprea1_706846,
CTK5I7079,
ZINC435124,
STK156240,
AKOS000104941,
MCULE-8607994451,
NE33438,
EN300-39973,
SR-01000219421,
SR-01000219421-1,
Z85893068,
3-{[(4-bromophenyl)carbonyl]amino}-4-methylbenzoic acid,
CID869803,
3-[(4-bromobenzoyl)amino]-4-methyl-benzoic Acid,
|
| Complexity | 366 |
| 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 | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number