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125163-13-5 | Benzenamine, 5-ethoxy-4-fluoro-2-nitro-
CAS No: 125163-13-5 Catalog No: AG000N9Z MDL No:
Product Description
Catalog Number:
AG000N9Z
Chemical Name:
Benzenamine, 5-ethoxy-4-fluoro-2-nitro-
CAS Number:
125163-13-5
Molecular Formula:
C8H9FN2O3
Molecular Weight:
200.1671
IUPAC Name:
5-ethoxy-4-fluoro-2-nitroaniline
InChI:
InChI=1S/C8H9FN2O3/c1-2-14-8-4-6(10)7(11(12)13)3-5(8)9/h3-4H,2,10H2,1H3
InChI Key:
IXBTZWMWZZYTIT-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)c(cc1F)[N+](=O)[O-]
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.169g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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