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4,5-Dichloro-3-hydroxypyridine

CAT: 0926-FD28865-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FD28865-01Size:50 mg
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CAS Number
1261269-63-9
Synonyms
4,5-Dichloropyridin-3-ol;3,4-Dichloro-5-hydroxypyridine
MDL Number
MFCD17012122
Smiles
C1=C (C (=C (C=N1) Cl) Cl) O
Molecular Formula
C5H3Cl2NO
Molecular Weight
163.99 g/mol
Controlled
No

Chemical Information

4,5-Dichloropyridin-3-ol
CAS Number1261269-63-9
PubChem CID53485572
IUPAC Name4,5-dichloropyridin-3-ol
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99
XLogP1.8
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1=C(C(=C(C=N1)Cl)Cl)O
InChI
InChI=1S/C5H3Cl2NO/c6-3-1-8-2-4(9)5(3)7/h1-2,9H
InChIKey
XTRDGOYXINOFRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dichloropyridin-3-ol
CAS: 1261269-63-9
CID: 53485572
Formula: C5H3Cl2NO
MW: 163.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.99
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass162.9591691
Monoisotopic Mass162.9591691
Topological Polar Surface Area33.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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