3-Chloro-5-fluorophenol

CAT: 0127-PC8165-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC8165-01Size:1 g

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CAS Number

202982-70-5

MDL Number

MFCD00042212

Purity

98%

Smiles

Oc1cc(F)cc(Cl)c1

Chemical Information

3-Chloro-5-fluorophenol

CAS Number	202982-70-5
PubChem CID	2773713
IUPAC Name	3-chloro-5-fluorophenol
Molecular Formula	C6H4ClFO
Molecular Weight	146.54
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1=C(C=C(C=C1F)Cl)O

InChI

InChI=1S/C6H4ClFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey

ZMFBYTAAMHWQHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 202982-70-5

CID: 2773713

Formula: C6H4ClFO

MW: 146.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.54
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.9934706
Monoisotopic Mass	145.9934706
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes