7-bromo-2-methyl-1-benzofuran

• ChemBase ID: 238436
• Molecular Formular: C9H7BrO
• Molecular Mass: 211.05528
• Monoisotopic Mass: 209.96802684
• SMILES: c12oc(cc1cccc2Br)C
• Canonical SMILES: Cc1cc2c(o1)c(Br)ccc2
• InChI: InChI=1S/C9H7BrO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3
• InChIKey: RLVGRFODLCTVTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methyl-1-benzofuran
• IUPAC Traditional name: 7-bromo-2-methyl-1-benzofuran
• Synonyms: 7-bromo-2-methyl-1-benzofuran

Database IDs

• MDL Number: MFCD18451224
• PubChem SID: 164294346
• PubChem CID: 12264721

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1006832
• LogD (pH = 7.4): 3.1006832
• Log P: 3.1006832
• Molar Refractivity: 47.6716 cm^3
• Polarizability: 19.185186 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.064

Product Information

• Purity: 95%