6-chloro-3-(4-iodophenyl)-2H-chromen-2-one

• ChemBase ID: 311137
• Molecular Formular: C15H8ClIO2
• Molecular Mass: 382.58029
• Monoisotopic Mass: 381.92575518
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)Cl)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)c1cc2cc(Cl)ccc2oc1=O
• InChI: InChI=1S/C15H8ClIO2/c16-11-3-6-14-10(7-11)8-13(15(18)19-14)9-1-4-12(17)5-2-9/h1-8H
• InChIKey: HKQOLVGIKAIJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-(4-iodophenyl)-2H-chromen-2-one
• IUPAC Traditional name: 6-chloro-3-(4-iodophenyl)chromen-2-one
• Synonyms: 6-chloro-3-(4-iodophenyl)-2H-chromen-2-one

Database IDs

• CAS Number: 332030-55-4
• MDL Number: MFCD01179325

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9844365
• LogD (pH = 7.4): 4.9844365
• Log P: 4.9844365
• Molar Refractivity: 84.168 cm^3
• Polarizability: 32.33385 Å^3
• Polar Surface Area: 26.3 Å^2