7-methoxy-1-benzofuran-2-carbonyl chloride

• ChemBase ID: 115754
• Molecular Formular: C10H7ClO3
• Molecular Mass: 210.61378
• Monoisotopic Mass: 210.00837176
• SMILES: c1(oc2c(c1)cccc2OC)C(=O)Cl
• Canonical SMILES: COc1cccc2c1oc(c2)C(=O)Cl
• InChI: InChI=1S/C10H7ClO3/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3
• InChIKey: CESLGDUYYAIOPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1-benzofuran-2-carbonyl chloride
• IUPAC Traditional name: 7-methoxy-1-benzofuran-2-carbonyl chloride
• Synonyms: 7-methoxy-1-benzofuran-2-carbonyl chloride

Database IDs

• MDL Number: MFCD16652920
• PubChem SID: 162101367
• PubChem CID: 22734473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0856116
• LogD (pH = 7.4): 2.0856116
• Log P: 2.0856116
• Molar Refractivity: 52.3545 cm^3
• Polarizability: 21.002056 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.402

Product Information

• Purity: 95+%