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339255-72-0 | 3-Nitro-3H-[1,2,4]triazolo[3,4-c][1,2,4]triazole
CAS No: 339255-72-0 Catalog No: AG00JACI MDL No:MFCD00820595
Product Description
Catalog Number:
AG00JACI
Chemical Name:
3-Nitro-3H-[1,2,4]triazolo[3,4-c][1,2,4]triazole
CAS Number:
339255-72-0
Molecular Formula:
C3H2N6O2
Molecular Weight:
154.0870
MDL Number:
MFCD00820595
IUPAC Name:
5-nitro-5H-[1,2,4]triazolo[3,4-c][1,2,4]triazole
InChI:
InChI=1S/C3H2N6O2/c10-9(11)3-7-6-2-5-4-1-8(2)3/h1,3H
InChI Key:
ZHDIWIXRSZUWRV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1N=Nc2n1cnn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.089g/mol
Monoisotopic Mass:
154.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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