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Home > Fluorides > 113965-61-0
113965-61-0 | Benzene, 1,3-difluoro-2-(4-nitrophenoxy)-
CAS No: 113965-61-0 Catalog No: AG000A6O MDL No:
Product Description
Catalog Number:
AG000A6O
Chemical Name:
Benzene, 1,3-difluoro-2-(4-nitrophenoxy)-
CAS Number:
113965-61-0
Molecular Formula:
C12H7F2NO3
Molecular Weight:
251.1857
IUPAC Name:
1,3-difluoro-2-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H7F2NO3/c13-10-2-1-3-11(14)12(10)18-9-6-4-8(5-7-9)15(16)17/h1-7H
InChI Key:
GNLMXGRSLSCFNW-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Oc1ccc(cc1)[N+](=O)[O-])F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.189g/mol
Monoisotopic Mass:
251.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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