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89387-09-7 | 2,1,3-Benzoxadiazole, 5-chloro-4,6-dinitro-, 1-oxide
CAS No: 89387-09-7 Catalog No: AG003WKM MDL No:
Product Description
Catalog Number:
AG003WKM
Chemical Name:
2,1,3-Benzoxadiazole, 5-chloro-4,6-dinitro-, 1-oxide
CAS Number:
89387-09-7
Molecular Formula:
C6HClN4O6
Molecular Weight:
260.5483
IUPAC Name:
5-chloro-4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium
InChI:
InChI=1S/C6HClN4O6/c7-4-2(9(12)13)1-3-5(6(4)10(14)15)8-17-11(3)16/h1H
InChI Key:
RPRQXDKAZKTLQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[n+]([O-])onc2c(c1Cl)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.546g/mol
Monoisotopic Mass:
259.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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