| CAS Number | 214262-89-2 |
| Catalog Number | AG0072DY(AGN-PC-0KK5Y3) |
| Chemical Name | 1-(2-Fluorophenyl)cyclopentanecarbonitrile |
| IUPAC Name | 1-(2-fluorophenyl)cyclopentane-1-carbonitrile |
| InChI | InChI=1S/C12H12FN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2 |
| InChI Key | KFRPRFWZCDHYKA-UHFFFAOYSA-N |
| MDL Number | MFCD00800612 |
| Molecular Formula | C12H12FN |
| Molecular Weight | 189.2288 |
| SMILES | FC1=C(C2(C#N)CCCC2)C=CC=C1 |
| Synonyms | 214262-89-2,
1-(2-fluorophenyl)cyclopentane-1-carbonitrile,
1-(2-FLUOROPHENYL)CYCLOPENTANECARBONITRILE,
AC1MBYFA,
SCHEMBL1020368,
CTK1A6348,
DTXSID60369802,
ZINC155770,
KS-00003TD5,
MFCD00800612,
SBB017027,
AKOS010815634,
MCULE-3187534012,
SY200176,
TS-02672,
ST50405123,
MFCD00800612 (95%),
Z2028236136,
1- CYCLOPENTANECARBONITRILE,
ZINC00155770,
CID2733237,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.233g/mol |
| Monoisotopic Mass | 189.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number