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Home Other Building Blocks 1-Phenyl-1H-1,2,4-triazol-3(2H)-one

1-Phenyl-1H-1,2,4-triazol-3(2H)-one

CAS No.:
4231-68-9
Catalog Number:
AG003AXN
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
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Product Description
Catalog Number:
AG003AXN
Chemical Name:
1-Phenyl-1H-1,2,4-triazol-3(2H)-one
CAS Number:
4231-68-9
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD00138713
IUPAC Name:
2-phenyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C8H7N3O/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChI Key:
QCDMYEHBRNFUQG-UHFFFAOYSA-N
SMILES:
O=c1ncn([nH]1)c1ccccc1
EC Number:
224-187-5
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Adsorption and degradation of triazophos, chlorpyrifos and their main hydrolytic metabolites in paddy soil from Chaohu Lake, China. Journal of environmental management 20110901
Identification of the biochemical degradation pathway of triazophos and its intermediate in Diaphorobacter sp. TPD-1. Current microbiology 20110401
Isolation of a triazophos-degrading strain Klebsiella sp. E6 effectively utilizing triazophos as sole nitrogen source. FEMS microbiology letters 20051215
[Screening of a triazophos-degrading strain and pathway of its degradation]. Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20051101
Degradation kinetics and products of triazophos in intertidal sediment. Journal of environmental sciences (China) 20050101
Kinetics and products of photo-Fenton degradation of triazophos. Journal of agricultural and food chemistry 20041215
Properties