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Home > Nitro Compounds > 31123-27-0
31123-27-0 | 2H-1,2,3-Triazole, 4-nitro-2-(2,4,6-trinitrophenyl)-
CAS No: 31123-27-0 Catalog No: AG00326U MDL No:
Product Description
Catalog Number:
AG00326U
Chemical Name:
2H-1,2,3-Triazole, 4-nitro-2-(2,4,6-trinitrophenyl)-
CAS Number:
31123-27-0
Molecular Formula:
C8H3N7O8
Molecular Weight:
325.1515
IUPAC Name:
4-nitro-2-(2,4,6-trinitrophenyl)triazole
InChI:
InChI=1S/C8H3N7O8/c16-12(17)4-1-5(13(18)19)8(6(2-4)14(20)21)11-9-3-7(10-11)15(22)23/h1-3H
InChI Key:
AZYCRIHLHLVBKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])n1ncc(n1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.004g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.153g/mol
Monoisotopic Mass:
325.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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