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Home > Nitro Compounds > 26621-66-9
26621-66-9 | 1H-1,2,4-Triazole, 5-nitro-3-propyl-
CAS No: 26621-66-9 Catalog No: AG002TUO MDL No:
Product Description
Catalog Number:
AG002TUO
Chemical Name:
1H-1,2,4-Triazole, 5-nitro-3-propyl-
CAS Number:
26621-66-9
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
IUPAC Name:
5-nitro-3-propyl-1H-1,2,4-triazole
InChI:
InChI=1S/C5H8N4O2/c1-2-3-4-6-5(8-7-4)9(10)11/h2-3H2,1H3,(H,6,7,8)
InChI Key:
RZICSCSEORKHCD-UHFFFAOYSA-N
SMILES:
CCCc1n[nH]c(n1)[N+](=O)[O-]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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