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2-Chlorostyrene

CAT: 0572-TRC-C381988-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C381988-1GSize:1 g
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CAS Number
2039-87-4
Hazard Statement
No Data Available
Smiles
Clc1ccccc1C=C
Molecular Formula
C8 H7 Cl
Molecular Weight
138.59
Additionnal Information
IUPAC name: 2-Chlorostyrene
Shipping Conditions
Room Temperature

Chemical Information

2-Chlorostyrene

O-chlorostyrene is a clear yellow liquid. (NTP, 1992)

CAS Number2039-87-4
PubChem CID14906
IUPAC Name1-chloro-2-ethenylbenzene
Molecular FormulaC8H7Cl
Molecular Weight138.59
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity98
SMILES
C=CC1=CC=CC=C1Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
ISRGONDNXBCDBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorostyrene
CAS: 2039-87-4
CID: 14906
Formula: C8H7Cl
MW: 138.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.59
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass138.0236279
Monoisotopic Mass138.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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