| CAS Number | 730949-59-4 |
| Catalog Number | AG00ICCE(AGN-PC-0WR4FX) |
| Chemical Name | 2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide |
| InChI | InChI=1S/C13H15ClN2O/c1-10-6-11(2)8-12(7-10)16(5-3-4-15)13(17)9-14/h6-8H,3,5,9H2,1-2H3 |
| InChI Key | BYWYEBONAMUZGE-UHFFFAOYSA-N |
| MDL Number | MFCD04621444 |
| Molecular Formula | C13H15ClN2O |
| Molecular Weight | 250.7240 |
| SMILES | CC1=CC(N(C(CCl)=O)CCC#N)=CC(C)=C1 |
| Synonyms | 2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide,
730949-59-4,
EN300-08169,
AC1Q2GVV,
AC1M68NF,
CTK7D0100,
ZINC3277944,
MFCD04621444,
AKOS000122362,
MCULE-5852660937,
NE12923,
BC4124299,
ZINC03277944,
CID2393435,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.726g/mol |
| Monoisotopic Mass | 250.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number