| CAS Number | 1260677-70-0 |
| Catalog Number | AG01BDNK |
| Chemical Name | 1-(2,3-Difluorophenyl)cyclopentane-1-carbonitrile |
| IUPAC Name | 1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile |
| InChI | InChI=1S/C12H11F2N/c13-10-5-3-4-9(11(10)14)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2 |
| InChI Key | ZFRWEVLYJRLSSU-UHFFFAOYSA-N |
| MDL Number | MFCD11036737 |
| Molecular Formula | C12H11F2N |
| Molecular Weight | 207.2192 |
| SMILES | N#CC1(C2=CC=CC(F)=C2F)CCCC1 |
| Synonyms | 1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile,
1260677-70-0,
1-(2,3-Difluorophenyl)cyclopentanecarbonitrile,
ZINC75933835,
AKOS023128867,
NE53748,
SY161553,
MFCD11036737 (95%),
EN300-178010,
Z1889709965,
|
| Complexity | 275 |
| 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 |
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Certificate of Analysis
Lot Number