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108307-56-8 | 3-(Trifluoromethoxy)phenylacetonitrile
CAS No: 108307-56-8 Catalog No: AG003BAI MDL No:MFCD00061272
Product Description
Catalog Number:
AG003BAI
Chemical Name:
3-(Trifluoromethoxy)phenylacetonitrile
CAS Number:
108307-56-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00061272
IUPAC Name:
2-[3-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI Key:
WZLPHJZVNJXHPV-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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