2,4-Dichlorophenol 98% For Synthesis

CAT: 1278-00971 00500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1278-00971 00500Size:500 g

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CAS Number

120-83-2

HS Code

29089990

Packaging Group

Chemical Information

2,4-Dichlorophenol

2,4-dichlorophenol is a dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.

CAS Number	120-83-2
PubChem CID	8449
IUPAC Name	2,4-dichlorophenol
Molecular Formula	C6H4Cl2O
Molecular Weight	163.00
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1Cl)Cl)O

InChI

InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey

HFZWRUODUSTPEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-83-2

CID: 8449

Formula: C6H4Cl2O

MW: 163.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.00
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	161.9639201
Monoisotopic Mass	161.9639201
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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

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