| CAS Number | 939816-39-4 |
| Catalog Number | AG01AAO3 |
| Chemical Name | 4-chloro-2-(cyclohexylamino)benzonitrile |
| IUPAC Name | 4-chloro-2-(cyclohexylamino)benzonitrile |
| InChI | InChI=1S/C13H15ClN2/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h6-8,12,16H,1-5H2 |
| InChI Key | LQXOZTQPPYEROY-UHFFFAOYSA-N |
| MDL Number | MFCD12118976 |
| Molecular Formula | C13H15ClN2 |
| Molecular Weight | 234.7246 |
| SMILES | ClC1=CC(NC2CCCCC2)=C(C#N)C=C1 |
| Synonyms | 4-chloro-2-(cyclohexylamino)benzonitrile,
939816-39-4,
EN300-69126,
AC1Q3IG5,
ZINC36954395,
AKOS009873905,
MCULE-7410316196,
NE41211,
BC4217469,
Z1232617438,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.727g/mol |
| Monoisotopic Mass | 234.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number