| CAS Number | 1260802-64-9 |
| Catalog Number | AG01AG3E |
| Chemical Name | 1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile |
| IUPAC Name | 1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C13H13F2N/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 | GJCMAAIIVRTVJX-UHFFFAOYSA-N |
| MDL Number | MFCD11036785 |
| Molecular Formula | C13H13F2N |
| Molecular Weight | 221.2458 |
| SMILES | FC1=CC(F)=C(C2(C#N)CCCCC2)C=C1 |
| Synonyms | 1-(2,4-difluorophenyl)cyclohexane-1-carbonitrile,
1260802-64-9,
ZINC83882285,
AKOS013885741,
NE31764,
BC4603130,
EN300-157018,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.251g/mol |
| Monoisotopic Mass | 221.102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number