| CAS Number | 950148-89-7 |
| Catalog Number | AG019KMT |
| Chemical Name | 3-Chloro-N-(4-cyanophenyl)propanamide |
| IUPAC Name | 3-chloro-N-(4-cyanophenyl)propanamide |
| InChI | InChI=1S/C10H9ClN2O/c11-6-5-10(14)13-9-3-1-8(7-12)2-4-9/h1-4H,5-6H2,(H,13,14) |
| InChI Key | UDCHLXJYCUCIAT-UHFFFAOYSA-N |
| MDL Number | MFCD09863267 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | ClCCC(=O)NC1=CC=C(C=C1)C#N |
| Synonyms | 3-chloro-N-(4-cyanophenyl)propanamide,
950148-89-7,
EN300-27531,
AC1Q3UFY,
SCHEMBL6621438,
CTK6H7316,
UDCHLXJYCUCIAT-UHFFFAOYSA-N,
ZINC12505556,
AKOS000263280,
BBV-157404,
FCH5106255,
MCULE-6174117081,
NE14540,
N1-(4-Cyanophenyl)-3-chloropropanamide,
Z235352169,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number