| CAS Number | 954585-78-5 |
| Catalog Number | AG019W0E |
| Chemical Name | 3-amino-N-(3-cyanophenyl)benzamide |
| IUPAC Name | 3-amino-N-(3-cyanophenyl)benzamide |
| InChI | InChI=1S/C14H11N3O/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1-8H,16H2,(H,17,18) |
| InChI Key | SBIQYLBPMQVVPS-UHFFFAOYSA-N |
| MDL Number | MFCD09740033 |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.2566 |
| SMILES | NC1=CC(C(NC2=CC(C#N)=CC=C2)=O)=CC=C1 |
| Synonyms | 3-amino-N-(3-cyanophenyl)benzamide,
EN300-50047,
954585-78-5,
AC1Q51EQ,
CTK7C8533,
ZINC20193296,
AKOS000146268,
MCULE-6430923828,
NE14374,
SEL10402140,
SEL10770614,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.262g/mol |
| Monoisotopic Mass | 237.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number