| CAS Number | 743444-44-2 |
| Catalog Number | AG018SAF(AGN-PC-0WBPUN) |
| Chemical Name | 2-chloro-N-(1-cyanocyclohexyl)propanamide |
| IUPAC Name | 2-chloro-N-(1-cyanocyclohexyl)propanamide |
| InChI | InChI=1S/C10H15ClN2O/c1-8(11)9(14)13-10(7-12)5-3-2-4-6-10/h8H,2-6H2,1H3,(H,13,14) |
| InChI Key | NORBIVAWQUKFIC-UHFFFAOYSA-N |
| MDL Number | MFCD05263145 |
| Molecular Formula | C10H15ClN2O |
| Molecular Weight | 214.6919 |
| SMILES | CC(C(NC1(C#N)CCCCC1)=O)Cl |
| Synonyms | 2-chloro-N-(1-cyanocyclohexyl)propanamide,
743444-44-2,
EN300-08664,
AC1MYKID,
AC1Q2AUO,
CTK6A3054,
AKOS026676648,
FCH1317271,
MCULE-2173618715,
NE18236,
NCGC00342518-01,
AB01334529-02,
SR-01000050444,
SR-01000050444-1,
F8889-4779,
ZINC02650128,
CID3858086,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.693g/mol |
| Monoisotopic Mass | 214.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number