5-chloro-1-benzofuran

• ChemBase ID: 288137
• Molecular Formular: C8H5ClO
• Molecular Mass: 152.5777
• Monoisotopic Mass: 152.00289246
• SMILES: Clc1ccc2occc2c1
• Canonical SMILES: Clc1ccc2c(c1)cco2
• InChI: InChI=1S/C8H5ClO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
• InChIKey: CPJOPFBXUHIQQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1-benzofuran
• IUPAC Traditional name: 5-chloro-1-benzofuran
• Synonyms: 5-Chlorobenzofuran

Database IDs

• CAS Number: 23145-05-3
• MDL Number: MFCD10699415
• PubChem SID: 180673668
• PubChem CID: 90013

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: 16.566967 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%