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Home > Fluorides > 865856-72-0
865856-72-0 | 1,3-Difluoro-5-(3-nitrophenyl)benzene
CAS No: 865856-72-0 Catalog No: AG004LER MDL No:MFCD21332992
Product Description
Catalog Number:
AG004LER
Chemical Name:
1,3-Difluoro-5-(3-nitrophenyl)benzene
CAS Number:
865856-72-0
Molecular Formula:
C12H7F2NO2
Molecular Weight:
235.1863
MDL Number:
MFCD21332992
IUPAC Name:
1,3-difluoro-5-(3-nitrophenyl)benzene
InChI:
InChI=1S/C12H7F2NO2/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(6-8)15(16)17/h1-7H
InChI Key:
JNGTYJUVIDNFBX-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.19g/mol
Monoisotopic Mass:
235.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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