CAS 1948-40-9|4-hydroxy-3,5-diiodobenzaldehyde|3,5-Diiodo4-hydroxybenzaldehyde|2,6-Diiodo-4-formylphenol|4-hydroxy-3,5-diiodobenzaldehyde|4-Hydroxy-3,5-diiodo-benzaldehyde|4-Hydroxy-3,5-diiodobenzal...

General Information

Structure

Molecular Formula

C₇H₄I₂O₂

Molecular Mass

373.9144

Exact Mass

373.83007537

Charge

InChI

InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

InChIKey

WHLUEIMENHLCMY-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc(I)c(c(c1)I)O

Isomeric Smiles

O=Cc1cc(c(c(c1)I)O)I

Calculated Properties

JChem

Acid pKa

5.128243

H Acceptors

H Donor

LogD (pH = 5.5)

2.723148

LogD (pH = 7.4)

1.3792102

Log P

3.2400718

Molar Refractivity

61.3479

Polarizability

23.68149

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3,5-Diiodo4-hydroxybenzaldehyde2,6-Diiodo-4-formylphenol4-Hydroxy-3,5-diiodo-benzaldehyde4-Hydroxy-3,5-diiodobenzaldehydeNSC 729433,5-Diiodo-4-hydroxybenzaldehyde4-Hydroxy-3,5-diiodobenzaldehyde3,5-二碘-4-羟基苯甲醛4-Hydroxy-3,5-diiodobenzaldehyde3,5-Diiodo-4-hydroxybenzaldehyde

IUPAC name

4-hydroxy-3,5-diiodobenzaldehyde

IUPAC Traditional name

4-hydroxy-3,5-diiodobenzaldehyde

Names and Identifiers

Registration numbers

MDL Number

MFCD00014670

CAS Number

1948-40-9

PubChem CID

74760