| CAS Number | 438030-67-2 |
| Catalog Number | AG00DBDB(AGN-PC-0L11E8) |
| Chemical Name | N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide |
| IUPAC Name | N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide |
| InChI | InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14) |
| InChI Key | LVBZGBGZBJPXKO-UHFFFAOYSA-N |
| MDL Number | MFCD03478346 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | COC1=C(Cl)C=C(NC(CC#N)=O)C=C1 |
| Synonyms | N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide,
N-(3-Chloro-4-methoxy-phenyl)-2-cyano-acetamide,
438030-67-2,
AC1MYCT6,
AC1Q45FA,
Oprea1_084072,
CTK7C9446,
ZINC3885169,
BBL023400,
HTS028059,
MFCD03478346,
STK514974,
AKOS000115134,
MCULE-6006181043,
H2721,
ST45209355,
EN300-01399,
J-522994,
ZINC03885169,
CID3854691,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.644g/mol |
| Monoisotopic Mass | 224.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number