| CAS Number | 17922-96-2 |
| Catalog Number | AG0026VR(AGN-PC-0KIK7Q) |
| Chemical Name | 4-Cyano-N-phenylbenzamide |
| IUPAC Name | 4-cyano-N-phenylbenzamide |
| InChI | InChI=1S/C14H10N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,(H,16,17) |
| InChI Key | PMOXWVIRAXTQPK-UHFFFAOYSA-N |
| MDL Number | MFCD00505998 |
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.2420 |
| SMILES | N#Cc1ccc(cc1)C(=O)Nc1ccccc1 |
| Synonyms | 4-cyano-N-phenylbenzamide,
17922-96-2,
Benzamide, 4-cyano-N-phenyl-,
AC1MA717,
SCHEMBL3190254,
CTK0E3322,
DTXSID40368974,
ZINC3480996,
AKOS000189918,
MCULE-7059643556,
Z27782728,
ZINC03480996,
CID2598644,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.247g/mol |
| Monoisotopic Mass | 222.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number