Home Halogens Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-

Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-

CAS No.:
22902-88-1
Catalog Number:
AG002LF8
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
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Product Description
Catalog Number:
AG002LF8
Chemical Name:
Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-
CAS Number:
22902-88-1
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
MDL Number:
MFCD01631472
IUPAC Name:
2-[2-chloro-5-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5ClF3N/c10-8-2-1-7(9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2
InChI Key:
KTMVZYQQKJZSFK-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1Cl)C(F)(F)F
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