5-(2-chlorophenyl)thiophene-2-carbaldehyde

• ChemBase ID: 254083
• Molecular Formular: C11H7ClOS
• Molecular Mass: 222.69068
• Monoisotopic Mass: 221.99061352
• SMILES: c1(sc(cc1)C=O)c1c(Cl)cccc1
• Canonical SMILES: O=Cc1ccc(s1)c1ccccc1Cl
• InChI: InChI=1S/C11H7ClOS/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
• InChIKey: LOEKFPAEXOYFGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chlorophenyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(2-chlorophenyl)thiophene-2-carbaldehyde
• Synonyms: 5-(2-chlorophenyl)thiophene-2-carbaldehyde

Database IDs

• MDL Number: MFCD01918086
• PubChem SID: 164309993
• PubChem CID: 3578057

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8466058
• LogD (pH = 7.4): 3.8466058
• Log P: 3.8466058
• Molar Refractivity: 59.257 cm^3
• Polarizability: 23.71442 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.887

Product Information

• Purity: 95%; 98%