Chlorobenzene 99% GC

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CAS Number

108-90-7

HSN Code

29039110

Chemical Information

Chlorobenzene

Chlorobenzene is the simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. It has a role as a solvent.

CAS Number	108-90-7
PubChem CID	7964
IUPAC Name	chlorobenzene
Molecular Formula	C6H5Cl
Molecular Weight	112.55
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

C1=CC=C(C=C1)Cl

InChI

InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

MVPPADPHJFYWMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-90-7

CID: 7964

Formula: C6H5Cl

MW: 112.55

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	112.55
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	112.0079779
Monoisotopic Mass	112.0079779
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
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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Chlorobenzene 99% GC

Chemical Information

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