5-chloro-2-hydroxy-3-iodobenzaldehyde

• ChemBase ID: 311540
• Molecular Formular: C7H4ClIO2
• Molecular Mass: 282.46293
• Monoisotopic Mass: 281.89445505
• SMILES: c1(c(c(cc(c1)Cl)I)O)C=O
• Canonical SMILES: O=Cc1cc(Cl)cc(c1O)I
• InChI: InChI=1S/C7H4ClIO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
• InChIKey: QNSRWUDUYCZRQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydroxy-3-iodobenzaldehyde
• IUPAC Traditional name: 5-chloro-2-hydroxy-3-iodobenzaldehyde
• Synonyms: 5-chloro-2-hydroxy-3-iodobenzaldehyde

Database IDs

• CAS Number: 215124-03-1
• MDL Number: MFCD00462964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.543444
• LogD (pH = 7.4): 2.8714035
• Log P: 3.565172
• Molar Refractivity: 52.7902 cm^3
• Polarizability: 20.130287 Å^3
• Polar Surface Area: 37.3 Å^2