| CAS Number | 1227808-14-1 |
| Catalog Number | AG01BHQ3 |
| Chemical Name | 3,3-Difluorocyclohexanecarbonitrile |
| IUPAC Name | 3,3-difluorocyclohexane-1-carbonitrile |
| InChI | InChI=1S/C7H9F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-4H2 |
| InChI Key | QGNNVIVNKNEVMT-UHFFFAOYSA-N |
| MDL Number | MFCD18909204 |
| Molecular Formula | C7H9F2N |
| Molecular Weight | 145.1499 |
| SMILES | FC1(CC(C#N)CCC1)F |
| Synonyms | 3,3-difluorocyclohexanecarbonitrile,
3,3-difluorocyclohexane-1-carbonitrile,
1227808-14-1,
AKOS023599661,
SC-53674,
Z1993523183,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.153g/mol |
| Monoisotopic Mass | 145.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number