5-(3,5-dichlorophenyl)thiophene-2-carbaldehyde

• ChemBase ID: 811552
• Molecular Formular: C11H6Cl2OS
• Molecular Mass: 257.13574
• Monoisotopic Mass: 255.95164117
• SMILES: s1c(ccc1c1cc(cc(c1)Cl)Cl)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C11H6Cl2OS/c12-8-3-7(4-9(13)5-8)11-2-1-10(6-14)15-11/h1-6H
• InChIKey: JRVQWECLOATLAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,5-dichlorophenyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(3,5-dichlorophenyl)thiophene-2-carbaldehyde
• Synonyms: 5-(3,5-DICHLOROPHENYL)THIOPHENE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.45065
• LogD (pH = 7.4): 4.45065
• Log P: 4.45065
• Molar Refractivity: 64.0618 cm^3
• Polarizability: 25.58677 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%