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5-Chloropyridine-3,4-diol

CAT: 0127-OR1064082-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1064082-01Size:50 mg
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CAS Number
1393550-54-3
MDL Number
MFCD22547530
Purity
95%
Smiles
OC1=C(O)C(Cl)=CN=C1

Chemical Information

5-Chloropyridine-3,4-diol
CAS Number1393550-54-3
PubChem CID72217880
IUPAC Name3-chloro-5-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=C(C(=O)C(=CN1)Cl)O
InChI
InChI=1S/C5H4ClNO2/c6-3-1-7-2-4(8)5(3)9/h1-2,8H,(H,7,9)
InChIKey
UJZHXQBHWAWAPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloropyridine-3,4-diol
CAS: 1393550-54-3
CID: 72217880
Formula: C5H4ClNO2
MW: 145.54
Interactive 3D Structure
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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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