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Home > Nitro Compounds > 26469-89-6
26469-89-6 | 1,3-Benzenediol, trinitro-
CAS No: 26469-89-6 Catalog No: AG002TD6 MDL No:
Product Description
Catalog Number:
AG002TD6
Chemical Name:
1,3-Benzenediol, trinitro-
CAS Number:
26469-89-6
Molecular Formula:
C6H3N3O8
Molecular Weight:
245.1033
IUPAC Name:
2,4,5-trinitrobenzene-1,3-diol
InChI:
InChI=1S/C6H3N3O8/c10-3-1-2(7(12)13)4(8(14)15)6(11)5(3)9(16)17/h1,10-11H
InChI Key:
UPRARPQURIAAFP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cc(c(c1O)[N+](=O)[O-])[N+](=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:
244.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.103g/mol
Monoisotopic Mass:
244.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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