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128585-26-2 | 1,3-Benzenediol, 5-amino-2,4,6-trinitro-
CAS No: 128585-26-2 Catalog No: AG000Y7H MDL No:
Product Description
Catalog Number:
AG000Y7H
Chemical Name:
1,3-Benzenediol, 5-amino-2,4,6-trinitro-
CAS Number:
128585-26-2
Molecular Formula:
C6H4N4O8
Molecular Weight:
260.1180
IUPAC Name:
5-amino-2,4,6-trinitrobenzene-1,3-diol
InChI:
InChI=1S/C6H4N4O8/c7-1-2(8(13)14)5(11)4(10(17)18)6(12)3(1)9(15)16/h11-12H,7H2
InChI Key:
UIJLTECJVZBJEP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)c([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.118g/mol
Monoisotopic Mass:
260.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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