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Home > Fluorides > 1214360-38-9
1214360-38-9 | Benzonitrile, 3-nitro-4-(trifluoromethoxy)-
CAS No: 1214360-38-9 Catalog No: AG0014VQ MDL No:MFCD09745165
Product Description
Catalog Number:
AG0014VQ
Chemical Name:
Benzonitrile, 3-nitro-4-(trifluoromethoxy)-
CAS Number:
1214360-38-9
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
MDL Number:
MFCD09745165
IUPAC Name:
3-nitro-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3N2O3/c9-8(10,11)16-7-2-1-5(4-12)3-6(7)13(14)15/h1-3H
InChI Key:
WFAHTXKLIWKTAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.118g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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