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Home > Fluorides > 1214341-32-8
1214341-32-8 | Benzonitrile, 5-nitro-2-(trifluoromethoxy)-
CAS No: 1214341-32-8 Catalog No: AG0014UT MDL No:MFCD13185758
Product Description
Catalog Number:
AG0014UT
Chemical Name:
Benzonitrile, 5-nitro-2-(trifluoromethoxy)-
CAS Number:
1214341-32-8
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
MDL Number:
MFCD13185758
IUPAC Name:
5-nitro-2-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3N2O3/c9-8(10,11)16-7-2-1-6(13(14)15)3-5(7)4-12/h1-3H
InChI Key:
SPDYKDBZFOVNMP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
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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