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88140-45-8 | Diazene, bis(2-chloro-3,5-dinitrophenyl)-, 1-oxide
CAS No: 88140-45-8 Catalog No: AG004F2B MDL No:
Product Description
Catalog Number:
AG004F2B
Chemical Name:
Diazene, bis(2-chloro-3,5-dinitrophenyl)-, 1-oxide
CAS Number:
88140-45-8
Molecular Formula:
C12H4Cl2N6O9
Molecular Weight:
447.1010
IUPAC Name:
(2-chloro-3,5-dinitrophenyl)-(2-chloro-3,5-dinitrophenyl)imino-oxidoazanium
InChI:
InChI=1S/C12H4Cl2N6O9/c13-11-7(1-5(17(22)23)3-9(11)19(26)27)15-16(21)8-2-6(18(24)25)4-10(12(8)14)20(28)29/h1-4H
InChI Key:
VZGDPHULXUWDIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2Cl)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.942g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.097g/mol
Monoisotopic Mass:
445.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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