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3-Chlorostyrene

CAT: 0127-OR0030-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR0030-01Size:1 g
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CAS Number
2039-85-2
Synonyms
1-Chloro-3-vinylbenzene, 1-Chloro-3-ethenylbenzene
MDL Number
MFCD00000598
Purity
96% (stabilized with TBC)
Smiles
Clc1cccc(C=C)c1
Additionnal Information
Stabilised with 0.1% 4-tert-Butylcatechol
Storage Conditions
Store at 2-8°C
Notes
Stabilised with TBC

Chemical Information

m-Chlorostyrene
CAS Number2039-85-2
PubChem CID14905
IUPAC Name1-chloro-3-ethenylbenzene
Molecular FormulaC8H7Cl
Molecular Weight138.59
XLogP3.1
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=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Chlorostyrene
CAS: 2039-85-2
CID: 14905
Formula: C8H7Cl
MW: 138.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.59
XLogP33.1
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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