Home Nitriles 4-Chloro-3-(trifluoromethyl)phenylacetonitrile

4-Chloro-3-(trifluoromethyl)phenylacetonitrile

CAS No.:
22902-82-5
Catalog Number:
AG002LFC
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
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Product Description
Catalog Number:
AG002LFC
Chemical Name:
4-Chloro-3-(trifluoromethyl)phenylacetonitrile
CAS Number:
22902-82-5
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
MDL Number:
MFCD04116011
IUPAC Name:
2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5ClF3N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2
InChI Key:
VHHNQKBCGYUWAM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.591g/mol
Monoisotopic Mass:
219.006g/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  
Properties