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1174047-06-3 | 4-Pyridinol, 2,3-dichloro-
CAS No: 1174047-06-3 Catalog No: AG000E8Y MDL No:MFCD16610774
Product Description
Catalog Number:
AG000E8Y
Chemical Name:
4-Pyridinol, 2,3-dichloro-
CAS Number:
1174047-06-3
Molecular Formula:
C5H3Cl2NO
Molecular Weight:
163.9894
MDL Number:
MFCD16610774
IUPAC Name:
2,3-dichloro-1H-pyridin-4-one
InChI:
InChI=1S/C5H3Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
InChI Key:
OIIQOSKJOINELL-UHFFFAOYSA-N
SMILES:
Clc1c(O)ccnc1Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.985g/mol
Monoisotopic Mass:
162.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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