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113475-65-3 | Benzenamine, 4,5-diethoxy-2-nitro-
CAS No: 113475-65-3 Catalog No: AG0008PR MDL No:MFCD02103697
Product Description
Catalog Number:
AG0008PR
Chemical Name:
Benzenamine, 4,5-diethoxy-2-nitro-
CAS Number:
113475-65-3
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD02103697
IUPAC Name:
4,5-diethoxy-2-nitroaniline
InChI:
InChI=1S/C10H14N2O4/c1-3-15-9-5-7(11)8(12(13)14)6-10(9)16-4-2/h5-6H,3-4,11H2,1-2H3
InChI Key:
FIHGCFPYSBKOTC-UHFFFAOYSA-N
SMILES:
CCOc1cc([N+](=O)[O-])c(cc1OCC)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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