| CAS Number | 16272-47-2 |
| Catalog Number | AG00HYS3(AGN-PC-0WR4JI) |
| Chemical Name | 2-chloro-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide |
| InChI | InChI=1S/C11H10ClFN2O/c12-8-11(16)15(7-1-6-14)10-4-2-9(13)3-5-10/h2-5H,1,7-8H2 |
| InChI Key | YZRHAVQVPGIMQG-UHFFFAOYSA-N |
| MDL Number | MFCD04621472 |
| Molecular Formula | C11H10ClFN2O |
| Molecular Weight | 240.6613 |
| SMILES | FC1=CC=C(N(C(CCl)=O)CCC#N)C=C1 |
| Synonyms | 2-chloro-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide,
16272-47-2,
EN300-08167,
AC1M68RO,
AC1Q4M8V,
CTK7D0147,
ZINC3278002,
MFCD04621472,
AKOS008030114,
MCULE-5899243651,
NE58171,
SR-01000046919,
SR-01000046919-1,
ZINC03278002,
CID2393496,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.662g/mol |
| Monoisotopic Mass | 240.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number