| CAS Number | 1517663-72-7 |
| Catalog Number | AG01AG4J |
| Chemical Name | N-[(2-chlorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide |
| InChI | InChI=1S/C12H11ClN2O/c13-10-4-2-1-3-9(10)7-15-11(16)12(8-14)5-6-12/h1-4H,5-7H2,(H,15,16) |
| InChI Key | YRMKKJHJNIEKFT-UHFFFAOYSA-N |
| MDL Number | MFCD23444863 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | ClC1=C(CNC(C2(C#N)CC2)=O)C=CC=C1 |
| Synonyms | N-[(2-chlorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide,
1517663-72-7,
ZINC95884094,
AKOS019165726,
NE51242,
BC4938607,
EN300-157141,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number