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41046-67-7 | 2-IODOBENZENE-1,3-DIOL
CAS No: 41046-67-7 Catalog No: AG00C6Y2 MDL No:MFCD09701440
Product Description
Catalog Number:
AG00C6Y2
Chemical Name:
2-IODOBENZENE-1,3-DIOL
CAS Number:
41046-67-7
Molecular Formula:
C6H5IO2
Molecular Weight:
236.0072
MDL Number:
MFCD09701440
IUPAC Name:
2-iodobenzene-1,3-diol
InChI:
InChI=1S/C6H5IO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChI Key:
BNJXHRMYHDWZKL-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1I)O
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.933g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.008g/mol
Monoisotopic Mass:
235.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| O,O'-2-Iodo-1,3-phenyl-ene bis-(diphenyl-phosphinothio-ate). | Acta crystallographica. Section E, Structure reports online 20110901 |
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