2,4-dichloro-6-formylphenyl benzoate

• ChemBase ID: 80442
• Molecular Formular: C14H8Cl2O3
• Molecular Mass: 295.11752
• Monoisotopic Mass: 293.98504948
• SMILES: O(c1c(cc(cc1Cl)Cl)C=O)C(=O)c1ccccc1
• Canonical SMILES: O=Cc1cc(Cl)cc(c1OC(=O)c1ccccc1)Cl
• InChI: InChI=1S/C14H8Cl2O3/c15-11-6-10(8-17)13(12(16)7-11)19-14(18)9-4-2-1-3-5-9/h1-8H
• InChIKey: FOCRFYXDZLJAIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-formylphenyl benzoate
• IUPAC Traditional name: 2,4-dichloro-6-formylphenyl benzoate
• Synonyms: 2,4-dichloro-6-formylphenyl benzoate

Database IDs

• MDL Number: MFCD00117879
• PubChem SID: 162067562
• PubChem CID: 305156

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.555273
• LogD (pH = 7.4): 4.555273
• Log P: 4.555273
• Molar Refractivity: 74.0545 cm^3
• Polarizability: 28.191776 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true