| CAS Number | 898170-52-0 |
| Catalog Number | AG01BK63(AGN-PC-0WCQS7) |
| Chemical Name | N-(3-aminophenyl)-4-bromobenzamide |
| IUPAC Name | N-(3-aminophenyl)-4-bromobenzamide |
| InChI | InChI=1S/C13H11BrN2O/c14-10-6-4-9(5-7-10)13(17)16-12-3-1-2-11(15)8-12/h1-8H,15H2,(H,16,17) |
| InChI Key | WIBDBHKTZBEWNS-UHFFFAOYSA-N |
| MDL Number | MFCD01144009 |
| Molecular Formula | C13H11BrN2O |
| Molecular Weight | 291.1432 |
| SMILES | NC1=CC(NC(C2=CC=C(Br)C=C2)=O)=CC=C1 |
| Synonyms | N-(3-aminophenyl)-4-bromobenzamide,
898170-52-0,
SCHEMBL811036,
AC1P9T08,
CTK5I7094,
WIBDBHKTZBEWNS-UHFFFAOYSA-N,
ZINC7468001,
AKOS000131505,
4-Bromo-N-(3-amino-phenyl)-benzamide,
ZINC07468001,
CID8566626,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.148g/mol |
| Monoisotopic Mass | 290.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number