| CAS Number | 78734-79-9 |
| Catalog Number | AG00G3VA(AGN-PC-0WBPSI) |
| Chemical Name | 2-chloro-N-(1-cyanocyclohexyl)-N-methylacetamide |
| IUPAC Name | 2-chloro-N-(1-cyanocyclohexyl)-N-methylacetamide |
| InChI | InChI=1S/C10H15ClN2O/c1-13(9(14)7-11)10(8-12)5-3-2-4-6-10/h2-7H2,1H3 |
| InChI Key | YPOMFQWTQAGNFS-UHFFFAOYSA-N |
| MDL Number | MFCD05273565 |
| Molecular Formula | C10H15ClN2O |
| Molecular Weight | 214.6919 |
| SMILES | CN(C(=O)CCl)C1(CCCCC1)C#N |
| Synonyms | 2-chloro-N-(1-cyanocyclohexyl)-N-methylacetamide,
78734-79-9,
EN300-10006,
AC1Q3VSW,
AC1M255K,
SCHEMBL11249204,
CTK6H4781,
ZINC2647734,
SBB078146,
AKOS000117753,
FCH5026800,
MCULE-5348944872,
NE34369,
BBV-23465656,
2-chloro-N-(cyanocyclohexyl)-N-methylacetamide,
SR-01000052688,
J-509043,
SR-01000052688-1,
F8880-6705,
ZINC02647734,
CID2110811,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.693g/mol |
| Monoisotopic Mass | 214.087g/mol |
| Rotatable Bond Count | 2 |
| 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