| CAS Number | 1373233-33-0 |
| Catalog Number | AG00135E(AGN-PC-0J2CA0) |
| Chemical Name | 3-(2-Cyanophenyl)-N-cyclopropylbenzamide |
| IUPAC Name | 3-(2-cyanophenyl)-N-cyclopropylbenzamide |
| InChI | InChI=1S/C17H14N2O/c18-11-14-4-1-2-7-16(14)12-5-3-6-13(10-12)17(20)19-15-8-9-15/h1-7,10,15H,8-9H2,(H,19,20) |
| InChI Key | OUEBYGNFCICFEF-UHFFFAOYSA-N |
| MDL Number | MFCD22192478 |
| Molecular Formula | C17H14N2O |
| Molecular Weight | 262.3059 |
| SMILES | N#Cc1ccccc1c1cccc(c1)C(=O)NC1CC1 |
| Synonyms | 3-(2-Cyanophenyl)-N-cyclopropylbenzamide,
1373233-33-0,
ACMC-209cc4,
CTK8B0626,
DTXSID90742962,
ANW-20258,
MFCD22192478,
ZINC85477181,
CJ-22444,
TC-109003,
B-9521,
2'-Cyano-N-cyclopropyl[1,1'-biphenyl]-3-carboxamide,
[1,1'-Biphenyl]-3-carboxamide, 2'-cyano-N-cyclopropyl-,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.312g/mol |
| Monoisotopic Mass | 262.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number