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88106-07-4 | Benzenamine, N,3-dimethoxy-2,4-dinitro-
CAS No: 88106-07-4 Catalog No: AG004G2X MDL No:
Product Description
Catalog Number:
AG004G2X
Chemical Name:
Benzenamine, N,3-dimethoxy-2,4-dinitro-
CAS Number:
88106-07-4
Molecular Formula:
C8H9N3O6
Molecular Weight:
243.1736
IUPAC Name:
N,3-dimethoxy-2,4-dinitroaniline
InChI:
InChI=1S/C8H9N3O6/c1-16-8-6(10(12)13)4-3-5(9-17-2)7(8)11(14)15/h3-4,9H,1-2H3
InChI Key:
REOWSSHGLKCBPS-UHFFFAOYSA-N
SMILES:
CONc1ccc(c(c1[N+](=O)[O-])OC)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.175g/mol
Monoisotopic Mass:
243.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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