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16188-57-1 | Phenol, 2-iodo-4-methyl-
CAS No: 16188-57-1 Catalog No: AG001VYE MDL No:MFCD00189405
Product Description
Catalog Number:
AG001VYE
Chemical Name:
Phenol, 2-iodo-4-methyl-
CAS Number:
16188-57-1
Molecular Formula:
C7H7IO
Molecular Weight:
234.0344
MDL Number:
MFCD00189405
IUPAC Name:
2-iodo-4-methylphenol
InChI:
InChI=1S/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChI Key:
JITSLEIKSRKKCZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)I)O
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.036g/mol
Monoisotopic Mass:
233.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Identification of a medicinal off-flavour in mineral water. | Water research 20091201 |
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