4-(3-bromothiophen-2-yl)benzaldehyde

• ChemBase ID: 101498
• Molecular Formular: C11H7BrOS
• Molecular Mass: 267.14168
• Monoisotopic Mass: 265.94009784
• SMILES: c1(c(ccs1)Br)c1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)c1sccc1Br
• InChI: InChI=1S/C11H7BrOS/c12-10-5-6-14-11(10)9-3-1-8(7-13)2-4-9/h1-7H
• InChIKey: BTYZFUJFFBNJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-bromothiophen-2-yl)benzaldehyde
• IUPAC Traditional name: 4-(3-bromothiophen-2-yl)benzaldehyde
• Synonyms: 4-(3-bromothien-2-yl)benzaldehyde

Database IDs

• CAS Number: 934570-51-1
• MDL Number: MFCD09879968
• PubChem SID: 162088833
• PubChem CID: 24229751

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8788743
• LogD (pH = 7.4): 3.8788743
• Log P: 3.8788743
• Molar Refractivity: 62.2909 cm^3
• Polarizability: 24.547503 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%