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5-Chloro-2-fluorophenol

CAT: 0127-PC8611-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC8611-01Size:5 g
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CAS Number
186589-76-4
MDL Number
MFCD04116357
Purity
98%
Smiles
Oc1cc(Cl)ccc1F

Chemical Information

5-Chloro-2-fluorophenol
CAS Number186589-76-4
PubChem CID22482821
IUPAC Name5-chloro-2-fluorophenol
Molecular FormulaC6H4ClFO
Molecular Weight146.54
XLogP2.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1Cl)O)F
InChI
InChI=1S/C6H4ClFO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
OYEGPBZYKCARCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-fluorophenol
CAS: 186589-76-4
CID: 22482821
Formula: C6H4ClFO
MW: 146.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.54
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.9934706
Monoisotopic Mass145.9934706
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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