| CAS Number | 1181458-10-5 |
| Catalog Number | AG019V4I |
| Chemical Name | 3-(Cyanomethyl)benzamide |
| IUPAC Name | 3-(cyanomethyl)benzamide |
| InChI | InChI=1S/C9H8N2O/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H2,11,12) |
| InChI Key | DPYRAILBOJTIRV-UHFFFAOYSA-N |
| MDL Number | MFCD12197020 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | O=C(N)C1=CC=CC(CC#N)=C1 |
| Synonyms | 3-(cyanomethyl)benzamide,
1181458-10-5,
AC1Q4ZAJ,
SCHEMBL2857119,
CTK7C9819,
DPYRAILBOJTIRV-UHFFFAOYSA-N,
ZINC36378491,
AKOS022415217,
MCULE-7567479576,
NE24612,
EN300-43711,
Z458901288,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number