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2-Iodostyrene

CAT: 0127-OR61533-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR61533-01Size:250 mg
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CAS Number
4840-91-9
Synonyms
1-Ethenyl-2-iodobenzene, 1-Iodo-2-vinylbenzene
MDL Number
MFCD00080535
Purity
=95%
Smiles
Ic1ccccc1C=C
Additionnal Information
Stabilised with 0.01% 4-tert-butylcatechol
Storage Conditions
Store at 2-8°C

Chemical Information

1-Iodo-2-vinylbenzene
CAS Number4840-91-9
PubChem CID193446
IUPAC Name1-ethenyl-2-iodobenzene
Molecular FormulaC8H7I
Molecular Weight230.05
XLogP3.3
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=C1I
InChI
InChI=1S/C8H7I/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
PSIKFNDJOGHVHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Iodo-2-vinylbenzene
CAS: 4840-91-9
CID: 193446
Formula: C8H7I
MW: 230.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.05
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass229.95925
Monoisotopic Mass229.95925
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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