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2-Chloropyridine-3,4-diol

CAT: 0127-OR1055449-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055449-01Size:250 mg
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CAS Number
1204295-69-1
MDL Number
MFCD14525490
Purity
97%
Smiles
OC1=C(O)C(Cl)=NC=C1

Chemical Information

2-Chloropyridine-3,4-diol
CAS Number1204295-69-1
PubChem CID45790948
IUPAC Name2-chloro-3-hydroxy-1H-pyridin-4-one
Molecular FormulaC5H4ClNO2
Molecular Weight145.54
XLogP0.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity207
SMILES
C1=CNC(=C(C1=O)O)Cl
InChI
InChI=1S/C5H4ClNO2/c6-5-4(9)3(8)1-2-7-5/h1-2,9H,(H,7,8)
InChIKey
ZKYWJBVJMNKTSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloropyridine-3,4-diol
CAS: 1204295-69-1
CID: 45790948
Formula: C5H4ClNO2
MW: 145.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.54
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass144.9930561
Monoisotopic Mass144.9930561
Topological Polar Surface Area49.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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