3-Chlorophenol 98.5% For Synthesis

CAT: 1507-77900100Size: 100 mgDry Ice: NoHazardous: No

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CAS Number

108-43-0

HSN Code

29081900

Chemical Information

3-Chlorophenol

3-chlorophenol is a monochlorophenol carrying the chloro substituent at position 3.

CAS Number	108-43-0
PubChem CID	7933
IUPAC Name	3-chlorophenol
Molecular Formula	C6H5ClO
Molecular Weight	128.55
XLogP	2.5
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	74

SMILES

C1=CC(=CC(=C1)Cl)O

InChI

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

InChIKey

HORNXRXVQWOLPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-43-0

CID: 7933

Formula: C6H5ClO

MW: 128.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.55
XLogP3	2.5
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	74.9
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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