4-Chlorophenol 98% For Synthesis

CAT: 1278-00781 00500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1278-00781 00500Size:500 g

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CAS Number

106-48-9

HS Code

29089990

Packaging Group

Chemical Information

4-Chlorophenol

4-chlorophenol is a monochlorophenol substituted at the pare position by a chlorine atom.

CAS Number	106-48-9
PubChem CID	4684
IUPAC Name	4-chlorophenol
Molecular Formula	C6H5ClO
Molecular Weight	128.55
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1O)Cl

InChI

InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106-48-9

CID: 4684

Formula: C6H5ClO

MW: 128.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.55
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	128.0028925
Monoisotopic Mass	128.0028925
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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

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