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Home > Nitro Compounds > 137678-12-7
137678-12-7 | 2,1,3-Benzoxadiazole-4,6-diol, 5,7-dinitro-, 3-oxide
CAS No: 137678-12-7 Catalog No: AG0013PV MDL No:
Product Description
Catalog Number:
AG0013PV
Chemical Name:
2,1,3-Benzoxadiazole-4,6-diol, 5,7-dinitro-, 3-oxide
CAS Number:
137678-12-7
Molecular Formula:
C6H2N4O8
Molecular Weight:
258.1021
IUPAC Name:
5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4,6-diol
InChI:
InChI=1S/C6H2N4O8/c11-5-2(8(13)14)1-3(10(17)18-7-1)6(12)4(5)9(15)16/h11-12H
InChI Key:
LAQFYMVRPPATDQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)c([N+](=O)[O-])c2c(c1O)[n+]([O-])on2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.102g/mol
Monoisotopic Mass:
257.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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