C1=CC(=CC(=C1)I)CO
CAS: 57455-06-8
Name: (3-iodophenyl)methanol
SMILES: C1=CC(=CC(=C1)I)CO

Molecular Processing

Molecular formula
C7H7IO
Molecular weight
234.04
Exact mass
233.9542
XLogP
1.78
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
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
0.143
Molar refractivity
45.08

Supplementary Information

InChIKey: QGCCNWSXJHGUNL-UHFFFAOYSA-N
Synonyme
(3-Iodophenyl)methanol3-IODOBENZYL ALCOHOL57455-06-8Benzyl alcohol, m-iodo-3-IODO-BENZYL ALCOHOLEINECS 260-744-9BRN 3234821UNII-ASC64V76VRDTXSID002060654-06-00-02606 (Beilstein Handbook Reference)RefChem:94456DTXCID00128556260-744-9InChI=1/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5HQGCCNWSXJHGUNL-UHFFFAOYSA-Nm-Iodobenzyl alcohol3-IodobenzylalcoholBenzenemethanol, 3-iodo-MFCD000046353-Hydroxymethyl-1-iodobenzeneASC64V76VR(3-iodophenyl)methan-1-olIOB(3-iodo-phenyl)-methanol(3-iodophenyl)-methanol3-Iodobenzyl alcohol, 99%SCHEMBL132034orb1987250SCHEMBL2404811SCHEMBL16951385
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