7-chloro-1-benzofuran

• ChemBase ID: 292021
• Molecular Formular: C8H5ClO
• Molecular Mass: 152.5777
• Monoisotopic Mass: 152.00289246
• SMILES: Clc1c2occc2ccc1
• Canonical SMILES: Clc1cccc2c1occ2
• InChI: InChI=1S/C8H5ClO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
• InChIKey: AROWSPBDKGWJNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1-benzofuran
• IUPAC Traditional name: 7-chloro-1-benzofuran
• Synonyms: 7-Chlorobenzofuran

Database IDs

• CAS Number: 24410-55-7
• MDL Number: MFCD18207570
• PubChem SID: 180677552
• PubChem CID: 90491

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.736414
• LogD (pH = 7.4): 2.736414
• Log P: 2.736414
• Molar Refractivity: 39.7039 cm^3
• Polarizability: 16.597527 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%