C1=CC(=CC(=C1)I)O
CAS: 626-02-8
Name: 3-iodophenol
SMILES: C1=CC(=CC(=C1)I)O

Molecular Processing

Molecular formula
C6H5IO
Molecular weight
220.01
Exact mass
219.9385
XLogP
2
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.82

Supplementary Information

InChIKey: FXTKWBZFNQHAAO-UHFFFAOYSA-N
Synonyme
3-IODOPHENOL626-02-8Phenol, 3-iodo-m-JodphenolEINECS 210-923-2YU584Z4CZNBRN 2039304DTXSID3052305CHEBI:334394-06-00-01073 (Beilstein Handbook Reference)mIodophenol3JodphenolPhenol, miodomHydroxyiodobenzenePhenol, 3iodoRefChem:94465DTXCID0030877210-923-2FXTKWBZFNQHAAO-UHFFFAOYSA-NInChI=1/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8m-IodophenolPhenol, m-iodo-m-Hydroxyiodobenzene3-JodphenolMFCD000022613-Jodphenol [German]5-Iodophenolm-Iodophenol; 3-Iodophenol; m-Hydroxyiodobenzene; m-Iodophenol; m-Iodophenol;3-Iodo-Phenol3-Iodophenol, 98%
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