| CAS Number | 340732-46-9 |
| Catalog Number | AG019MXC |
| Chemical Name | 2-chloro-N-[(4-cyanophenyl)methyl]acetamide |
| IUPAC Name | 2-chloro-N-[(4-cyanophenyl)methyl]acetamide |
| InChI | InChI=1S/C10H9ClN2O/c11-5-10(14)13-7-9-3-1-8(6-12)2-4-9/h1-4H,5,7H2,(H,13,14) |
| InChI Key | HKDMTHMREWXLBS-UHFFFAOYSA-N |
| MDL Number | MFCD12762459 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | ClCC(NCC1=CC=C(C#N)C=C1)=O |
| Synonyms | 2-chloro-N-[(4-cyanophenyl)methyl]acetamide,
340732-46-9,
SCHEMBL5315364,
ZINC37501635,
AKOS009320190,
NE15537,
EN300-37700,
Acetamide, 2-chloro-N-[(4-cyanophenyl)methyl]-,
Z1562142952,
2-chloro-n-(4-cyanobenzyl)acetamide,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number