2-Chloro-6-fluorophenol

CAT: 0127-PC0129-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC0129-01Size:5 g

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CAS Number

2040-90-6

MDL Number

MFCD01631574

Purity

99%

Smiles

Oc1c(F)cccc1Cl

Chemical Information

2-Chloro-6-fluorophenol

an environmental pollutant

CAS Number	2040-90-6
PubChem CID	2773710
IUPAC Name	2-chloro-6-fluorophenol
Molecular Formula	C6H4ClFO
Molecular Weight	146.54
XLogP	2.2
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=CC(=C(C(=C1)Cl)O)F

InChI

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

InChIKey

QIAQIYQASAWZPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2040-90-6

CID: 2773710

Formula: C6H4ClFO

MW: 146.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.54
XLogP3	2.2
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