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Home > Fluorides > 101646-01-9
101646-01-9 | Benzene, 1,2-difluoro-3-nitro-5-(trifluoromethyl)-
CAS No: 101646-01-9 Catalog No: AG00050I MDL No:MFCD00236668
Product Description
Catalog Number:
AG00050I
Chemical Name:
Benzene, 1,2-difluoro-3-nitro-5-(trifluoromethyl)-
CAS Number:
101646-01-9
Molecular Formula:
C7H2F5NO2
Molecular Weight:
227.0883
MDL Number:
MFCD00236668
IUPAC Name:
1,2-difluoro-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2F5NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChI Key:
OADFVSQNTMBILE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)F)C(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.09g/mol
Monoisotopic Mass:
227.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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