4-Chloro-3-(trifluoromethoxy)phenylacetonitrile - CAS 886500-97-6
Catalog: |
BB039112 |
Product Name: |
4-Chloro-3-(trifluoromethoxy)phenylacetonitrile |
CAS: |
886500-97-6 |
Synonyms: |
2-[4-chloro-3-(trifluoromethoxy)phenyl]acetonitrile; 2-[4-chloro-3-(trifluoromethoxy)phenyl]acetonitrile |
IUPAC Name: | 2-[4-chloro-3-(trifluoromethoxy)phenyl]acetonitrile |
Description: | 4-Chloro-3-(trifluoromethoxy)phenylacetonitrile (CAS# 886500-97-6) is a useful research chemical compound. |
Molecular Weight: | 235.59 |
Molecular Formula: | C9H5ClF3NO |
Canonical SMILES: | C1=CC(=C(C=C1CC#N)OC(F)(F)F)Cl |
InChI: | InChI=1S/C9H5ClF3NO/c10-7-2-1-6(3-4-14)5-8(7)15-9(11,12)13/h1-2,5H,3H2 |
InChI Key: | KXNXYHHQHHZITA-UHFFFAOYSA-N |
LogP: | 3.30468 |
Publication Number | Title | Priority Date |
WO-2009001127-A1 | Cyanocyclopropylcarboxamides as cathepsin inhibitors | 20070626 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.001176 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.001176 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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