2-(chloromethyl)-1-benzofuran

• ChemBase ID: 240372
• Molecular Formular: C9H7ClO
• Molecular Mass: 166.60428
• Monoisotopic Mass: 166.01854252
• SMILES: o1c(cc2c1cccc2)CCl
• Canonical SMILES: ClCc1cc2c(o1)cccc2
• InChI: InChI=1S/C9H7ClO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
• InChIKey: LSGCBNJHZGJEEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-1-benzofuran
• IUPAC Traditional name: 2-(chloromethyl)-1-benzofuran
• Synonyms: 2-(chloromethyl)-1-benzofuran

Database IDs

• MDL Number: MFCD00052740
• PubChem SID: 164296282
• PubChem CID: 184348

CALCULATED PROPERTIES

• Polarizability: 18.360271 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6396124
• LogD (pH = 7.4): 2.6396124
• Log P: 2.6396124
• Molar Refractivity: 44.6435 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.264

Product Information

• Purity: 95%