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88106-05-2 | 1,3-Benzenediamine, N,N'-dimethoxy-2,4,6-trinitro-
CAS No: 88106-05-2 Catalog No: AG004EA5 MDL No:
Product Description
Catalog Number:
AG004EA5
Chemical Name:
1,3-Benzenediamine, N,N'-dimethoxy-2,4,6-trinitro-
CAS Number:
88106-05-2
Molecular Formula:
C8H9N5O8
Molecular Weight:
303.1858
IUPAC Name:
1-N,3-N-dimethoxy-2,4,6-trinitrobenzene-1,3-diamine
InChI:
InChI=1S/C8H9N5O8/c1-20-9-6-4(11(14)15)3-5(12(16)17)7(10-21-2)8(6)13(18)19/h3,9-10H,1-2H3
InChI Key:
JMGFKCPGFMUPPR-UHFFFAOYSA-N
SMILES:
CONc1c([N+](=O)[O-])c(NOC)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.045g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.187g/mol
Monoisotopic Mass:
303.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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