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101349-79-5 | Benzene, (2-iodoethenyl)-
CAS No: 101349-79-5 Catalog No: AG00049U MDL No:
Product Description
Catalog Number:
AG00049U
Chemical Name:
Benzene, (2-iodoethenyl)-
CAS Number:
101349-79-5
Molecular Formula:
C8H7I
Molecular Weight:
230.0457
IUPAC Name:
2-iodoethenylbenzene
InChI:
InChI=1S/C8H7I/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChI Key:
OZPOYKXYJOHGCW-UHFFFAOYSA-N
SMILES:
IC=Cc1ccccc1
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.048g/mol
Monoisotopic Mass:
229.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Concise strategy to the core structure of the macrolide queenslandon. | Organic letters 20061207 |
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