1-(3-Chloro-4-fluorophenyl)cyclopentanecarbonitrile - CAS 2113483-86-4
Catalog: |
BB016636 |
Product Name: |
1-(3-Chloro-4-fluorophenyl)cyclopentanecarbonitrile |
CAS: |
2113483-86-4 |
Synonyms: |
1-(3-chloro-4-fluorophenyl)-1-cyclopentanecarbonitrile; 1-(3-chloro-4-fluorophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(3-chloro-4-fluorophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(3-Chloro-4-fluorophenyl)cyclopentanecarbonitrile (CAS# 2113483-86-4 ) is a useful research chemical. |
Molecular Weight: | 223.67 |
Molecular Formula: | C12H11ClFN |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC(=C(C=C2)F)Cl |
InChI: | InChI=1S/C12H11ClFN/c13-10-7-9(3-4-11(10)14)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
InChI Key: | DWSGDRYYZVEDRX-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0564052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0564052 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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