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165803-89-4 | Benzenemethanol, 3-iodo-4-methyl-
CAS No: 165803-89-4 Catalog No: AG001WD9 MDL No:
Product Description
Catalog Number:
AG001WD9
Chemical Name:
Benzenemethanol, 3-iodo-4-methyl-
CAS Number:
165803-89-4
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
IUPAC Name:
(3-iodo-4-methylphenyl)methanol
InChI:
InChI=1S/C8H9IO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChI Key:
KOJVNDPZLOBKMK-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)I)C
Properties
Complexity:
105
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| No-carrier-added synthesis of a 4-methyl-substituted meta-iodobenzylguanidine analogue. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20050301 |
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