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125163-12-4 | Benzenamine, 4-fluoro-5-methoxy-2-nitro-
CAS No: 125163-12-4 Catalog No: AG000NA0 MDL No:MFCD00247494
Product Description
Catalog Number:
AG000NA0
Chemical Name:
Benzenamine, 4-fluoro-5-methoxy-2-nitro-
CAS Number:
125163-12-4
Molecular Formula:
C7H7FN2O3
Molecular Weight:
186.1405
MDL Number:
MFCD00247494
IUPAC Name:
4-fluoro-5-methoxy-2-nitroaniline
InChI:
InChI=1S/C7H7FN2O3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,9H2,1H3
InChI Key:
FRMLKSWJWIKLPO-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1F)[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.142g/mol
Monoisotopic Mass:
186.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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