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Home > Nitro Compounds > 117500-78-4
117500-78-4 | Benzene, diazidotrinitro- (6CI,9CI)
CAS No: 117500-78-4 Catalog No: AG000ED4 MDL No:
Product Description
Catalog Number:
AG000ED4
Chemical Name:
Benzene, diazidotrinitro- (6CI,9CI)
CAS Number:
117500-78-4
Molecular Formula:
C6HN9O6
Molecular Weight:
295.1288
IUPAC Name:
[(6-diazonioimino-3,4,5-trinitrocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
InChI:
InChI=1S/C6HN9O6/c7-11-9-2-1-3(13(16)17)5(14(18)19)6(15(20)21)4(2)10-12-8/h1H
InChI Key:
XRYJILMAARSQKP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(N=[N+]=[N-])c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.131g/mol
Monoisotopic Mass:
295.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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