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26059-40-5 | Benzeneethanol, 2-iodo-
CAS No: 26059-40-5 Catalog No: AG002RJT MDL No:MFCD12031769
Product Description
Catalog Number:
AG002RJT
Chemical Name:
Benzeneethanol, 2-iodo-
CAS Number:
26059-40-5
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD12031769
IUPAC Name:
2-(2-iodophenyl)ethanol
InChI:
InChI=1S/C8H9IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChI Key:
WUQBSMKQSLCUFC-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1I
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Bioconversion of iodoacetophenones by marine fungi. | Marine biotechnology (New York, N.Y.) 20120801 |
| Radical deoxygenation of hydroxyl groups via phosphites. | Journal of the American Chemical Society 20041020 |
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