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Home > Fluorides > 1003708-58-4
1003708-58-4 | Benzonitrile, 2-nitro-5-(trifluoromethoxy)-
CAS No: 1003708-58-4 Catalog No: AG0001R0 MDL No:MFCD09835205
Product Description
Catalog Number:
AG0001R0
Chemical Name:
Benzonitrile, 2-nitro-5-(trifluoromethoxy)-
CAS Number:
1003708-58-4
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
MDL Number:
MFCD09835205
IUPAC Name:
2-nitro-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3N2O3/c9-8(10,11)16-6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChI Key:
STFMZRHACYMUGG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[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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