3,4-Dichlorophenol

CAT: 0127-OR0058-02Size: 250 gDry Ice: NoHazardous: No

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CAT#:0127-OR0058-02Size:250 g

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CAS Number

95-77-2

MDL Number

MFCD00002258

Purity

98%

Smiles

Oc1ccc(Cl)c(Cl)c1

Chemical Information

3,4-Dichlorophenol

3,4-Dichlorophenol is a dichlorophenol.

CAS Number	95-77-2
PubChem CID	7258
IUPAC Name	3,4-dichlorophenol
Molecular Formula	C6H4Cl2O
Molecular Weight	163.00
XLogP	3.3
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=C1O)Cl)Cl

InChI

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

InChIKey

WDNBURPWRNALGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95-77-2

CID: 7258

Formula: C6H4Cl2O

MW: 163.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.00
XLogP3	3.3
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