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Home > Nitro Compounds > 151354-67-5
151354-67-5 | 1H-1,2,4-Triazole-1-acetamide, 5-methyl-3-nitro-
CAS No: 151354-67-5 Catalog No: AG001NAR MDL No:
Product Description
Catalog Number:
AG001NAR
Chemical Name:
1H-1,2,4-Triazole-1-acetamide, 5-methyl-3-nitro-
CAS Number:
151354-67-5
Molecular Formula:
C5H7N5O3
Molecular Weight:
185.1408
IUPAC Name:
2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide
InChI:
InChI=1S/C5H7N5O3/c1-3-7-5(10(12)13)8-9(3)2-4(6)11/h2H2,1H3,(H2,6,11)
InChI Key:
BVLWHDJSAZIHDS-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1nc(nc1C)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.143g/mol
Monoisotopic Mass:
185.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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