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144285-56-3 | 4-Pyridinol, 2,3,5-trichloro-, 1-oxide
CAS No: 144285-56-3 Catalog No: AG001J7V MDL No:
Product Description
Catalog Number:
AG001J7V
Chemical Name:
4-Pyridinol, 2,3,5-trichloro-, 1-oxide
CAS Number:
144285-56-3
Molecular Formula:
C5H2Cl3NO2
Molecular Weight:
214.4339
IUPAC Name:
2,3,5-trichloro-1-hydroxypyridin-4-one
InChI:
InChI=1S/C5H2Cl3NO2/c6-2-1-9(11)5(8)3(7)4(2)10/h1,11H
InChI Key:
MTDPESUOGSUHBQ-UHFFFAOYSA-N
SMILES:
Clc1c[n+]([O-])c(c(c1O)Cl)Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.426g/mol
Monoisotopic Mass:
212.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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