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828268-64-0 | 1H-1,2,4-Triazole, 3-azido-5-methyl-, mononitrate
CAS No: 828268-64-0 Catalog No: AG0055TW MDL No:
Product Description
Catalog Number:
AG0055TW
Chemical Name:
1H-1,2,4-Triazole, 3-azido-5-methyl-, mononitrate
CAS Number:
828268-64-0
Molecular Formula:
C3H5N7O3
Molecular Weight:
187.1169
IUPAC Name:
5-azido-3-methyl-1H-1,2,4-triazole;nitric acid
InChI:
InChI=1S/C3H4N6.HNO3/c1-2-5-3(7-6-2)8-9-4;2-1(3)4/h1H3,(H,5,6,7);(H,2,3,4)
InChI Key:
KNEAMPMLQYHQOZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.[N-]=[N+]=Nc1n[nH]c(n1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.119g/mol
Monoisotopic Mass:
187.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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