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Home > Fluorides > 1167055-65-3
1167055-65-3 | Benzene, 5-fluoro-1-methoxy-2-methyl-3-nitro-
CAS No: 1167055-65-3 Catalog No: AG000D24 MDL No:MFCD11845643
Product Description
Catalog Number:
AG000D24
Chemical Name:
Benzene, 5-fluoro-1-methoxy-2-methyl-3-nitro-
CAS Number:
1167055-65-3
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
MDL Number:
MFCD11845643
IUPAC Name:
5-fluoro-1-methoxy-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H8FNO3/c1-5-7(10(11)12)3-6(9)4-8(5)13-2/h3-4H,1-2H3
InChI Key:
NGWSPKQZQKGKPB-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1C)[N+](=O)[O-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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