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72093-49-3 | 1-Fluoro-3-(4-nitrophenyl)benzene
CAS No: 72093-49-3 Catalog No: AG005K8B MDL No:MFCD20529492
Product Description
Catalog Number:
AG005K8B
Chemical Name:
1-Fluoro-3-(4-nitrophenyl)benzene
CAS Number:
72093-49-3
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD20529492
IUPAC Name:
1-fluoro-3-(4-nitrophenyl)benzene
InChI:
InChI=1S/C12H8FNO2/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)14(15)16/h1-8H
InChI Key:
IYKGFDKPPCITJX-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.199g/mol
Monoisotopic Mass:
217.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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