1-[3-Chloro-5-(trifluoromethyl)phenyl]cyclobutanecarbonitrile - CAS 1314772-15-0
Catalog: |
BB007409 |
Product Name: |
1-[3-Chloro-5-(trifluoromethyl)phenyl]cyclobutanecarbonitrile |
CAS: |
1314772-15-0 |
Synonyms: |
1-[3-chloro-5-(trifluoromethyl)phenyl]-1-cyclobutanecarbonitrile; 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile |
IUPAC Name: | 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile |
Description: | 1-[3-Chloro-5-(trifluoromethyl)phenyl]cyclobutanecarbonitrile (CAS# 1314772-15-0 ) is a useful research chemical. |
Molecular Weight: | 259.65 |
Molecular Formula: | C12H9ClF3N |
Canonical SMILES: | C1CC(C1)(C#N)C2=CC(=CC(=C2)Cl)C(F)(F)F |
InChI: | InChI=1S/C12H9ClF3N/c13-10-5-8(11(7-17)2-1-3-11)4-9(6-10)12(14,15)16/h4-6H,1-3H2 |
InChI Key: | UPSWCNBZXZQXJS-UHFFFAOYSA-N |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0375615 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0375615 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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