2-(3-bromophenyl)furan

• ChemBase ID: 92615
• Molecular Formular: C10H7BrO
• Molecular Mass: 223.06598
• Monoisotopic Mass: 221.96802684
• SMILES: o1cccc1c1cccc(c1)Br
• Canonical SMILES: Brc1cccc(c1)c1ccco1
• InChI: InChI=1S/C10H7BrO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H
• InChIKey: YQTIZEZABLIGPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenyl)furan
• IUPAC Traditional name: 2-(3-bromophenyl)furan
• Synonyms: 2-(3-bromophenyl)furan; 2-(3-Bromophenyl)furan 97%

Database IDs

• CAS Number: 85553-51-1
• MDL Number: MFCD07775615
• PubChem SID: 162079313
• PubChem CID: 10609118

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4494705
• LogD (pH = 7.4): 3.4494705
• Log P: 3.4494705
• Molar Refractivity: 51.2079 cm^3
• Polarizability: 20.827015 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%