| CAS Number | 413574-80-8 |
| Catalog Number | AG019W0Q |
| Chemical Name | 4-[(3-Bromobenzene)amido]benzoic acid |
| IUPAC Name | 4-[(3-bromobenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C14H10BrNO3/c15-11-3-1-2-10(8-11)13(17)16-12-6-4-9(5-7-12)14(18)19/h1-8H,(H,16,17)(H,18,19) |
| InChI Key | NDPSYYITQRRGHS-UHFFFAOYSA-N |
| MDL Number | MFCD00433572 |
| Molecular Formula | C14H10BrNO3 |
| Molecular Weight | 320.1381 |
| SMILES | OC(C1=CC=C(NC(C2=CC(Br)=CC=C2)=O)C=C1)=O |
| Synonyms | 4-(3-bromobenzamido)benzoic acid,
4-[(3-bromobenzene)amido]benzoic acid,
413574-80-8,
4-[(3-bromobenzoyl)amino]benzoic Acid,
AC1LG2ST,
Oprea1_295194,
AC1Q73C0,
HMS1577B15,
ZINC286472,
SBB004690,
AKOS000105072,
MCULE-3013128387,
NE26323,
4-[(3-bromophenyl)carbonylamino]benzoic acid,
EN300-50073,
SR-01000198087,
SR-01000198087-1,
CID787884,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.142g/mol |
| Monoisotopic Mass | 318.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number