| CAS Number | 1037130-92-9 |
| Catalog Number | AG01C27K |
| Chemical Name | 1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile |
| IUPAC Name | 1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C13H13Cl2N/c14-10-4-5-11(12(15)8-10)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2 |
| InChI Key | QJUDXIZBRXRXCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11036796 |
| Molecular Formula | C13H13Cl2N |
| Molecular Weight | 254.1550 |
| SMILES | ClC1=CC(Cl)=C(C2(C#N)CCCCC2)C=C1 |
| Synonyms | 1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile,
1037130-92-9,
SCHEMBL8184370,
ZINC20429399,
AKOS005766108,
BC4171156,
EN300-250116,
Z2242946404,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.154g/mol |
| Monoisotopic Mass | 253.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number