| CAS Number | 959600-88-5 |
| Catalog Number | AG00IJOF(AGN-PC-0H6TO6) |
| Chemical Name | 2-(4,4-difluorocyclohexyl)acetonitrile |
| IUPAC Name | 2-(4,4-difluorocyclohexyl)acetonitrile |
| InChI | InChI=1S/C8H11F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-5H2 |
| InChI Key | YCPSRZKMHXVJDI-UHFFFAOYSA-N |
| MDL Number | MFCD13191787 |
| Molecular Formula | C8H11F2N |
| Molecular Weight | 159.1764 |
| SMILES | FC1(CCC(CC#N)CC1)F |
| Synonyms | 2-(4,4-difluorocyclohexyl)acetonitrile,
959600-88-5,
(4,4-Difluoro-cyclohexyl)-acetonitrile,
SCHEMBL963183,
C8H11F2N,
YCPSRZKMHXVJDI-UHFFFAOYSA-N,
8716AH,
ZINC95917690,
AKOS024196742,
Cyclohexaneacetonitrile, 4,4-difluoro-,
FCH1153282,
AJ-135356,
AX8291952,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.18g/mol |
| Monoisotopic Mass | 159.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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