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80714-26-7 | 1-(6-Chloro-2-pyridyl)-1H-3-hydroxy-1,2,4-triazole
CAS No: 80714-26-7 Catalog No: AG003D1R MDL No:MFCD00138720
Product Description
Catalog Number:
AG003D1R
Chemical Name:
1-(6-Chloro-2-pyridyl)-1H-3-hydroxy-1,2,4-triazole
CAS Number:
80714-26-7
Molecular Formula:
C7H5ClN4O
Molecular Weight:
196.5938
MDL Number:
MFCD00138720
IUPAC Name:
2-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C7H5ClN4O/c8-5-2-1-3-6(10-5)12-4-9-7(13)11-12/h1-4H,(H,11,13)
InChI Key:
UXHMOISHVNOJII-UHFFFAOYSA-N
SMILES:
Clc1cccc(n1)n1cnc(n1)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.594g/mol
Monoisotopic Mass:
196.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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