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63968-85-4 | 2-(Trifluoromethoxy)benzonitrile
CAS No: 63968-85-4 Catalog No: AG003F5C MDL No:MFCD00042409
Product Description
Catalog Number:
AG003F5C
Chemical Name:
2-(Trifluoromethoxy)benzonitrile
CAS Number:
63968-85-4
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD00042409
IUPAC Name:
2-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H
InChI Key:
ACNBBQGAWMHXLA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OC(F)(F)F
EC Number:
264-584-0
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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