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Home > Nitro Compounds > 139339-81-4
139339-81-4 | 4H-1,2,4-Triazole, 4-ethyl-3-nitro-
CAS No: 139339-81-4 Catalog No: AG001ASC MDL No:
Product Description
Catalog Number:
AG001ASC
Chemical Name:
4H-1,2,4-Triazole, 4-ethyl-3-nitro-
CAS Number:
139339-81-4
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
IUPAC Name:
4-ethyl-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C4H6N4O2/c1-2-7-3-5-6-4(7)8(9)10/h3H,2H2,1H3
InChI Key:
RPOXUKOILFNYQI-UHFFFAOYSA-N
SMILES:
CCn1cnnc1[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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