| CAS Number | 1260877-15-3 |
| Catalog Number | AG01A5FK(AGN-PC-0WO2IJ) |
| Chemical Name | 1-(2,6-Difluorophenyl)cyclopentane-1-carbonitrile |
| IUPAC Name | 1-(2,6-difluorophenyl)cyclopentane-1-carbonitrile |
| InChI | InChI=1S/C12H11F2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2 |
| InChI Key | YFUNIFLOZWEGMU-UHFFFAOYSA-N |
| MDL Number | MFCD11036730 |
| Molecular Formula | C12H11F2N |
| Molecular Weight | 207.2192 |
| SMILES | FC1=C(C2(C#N)CCCC2)C(F)=CC=C1 |
| Synonyms | 1-(2,6-difluorophenyl)cyclopentane-1-carbonitrile,
1260877-15-3,
1-(2,6-Difluorophenyl)cyclopentanecarbonitrile,
ZINC75933841,
AKOS023128869,
MCULE-3124358797,
NE37735,
SY151459,
MFCD11036730 (95%),
EN300-128674,
Z1642061060,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.224g/mol |
| Monoisotopic Mass | 207.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number