2,3-dihydro-1-benzofuran-2-carbonyl chloride

• ChemBase ID: 101134
• Molecular Formular: C9H7ClO2
• Molecular Mass: 182.60368
• Monoisotopic Mass: 182.01345714
• SMILES: O1C(C(=O)Cl)Cc2c1cccc2
• Canonical SMILES: ClC(=O)C1Cc2c(O1)cccc2
• InChI: InChI=1S/C9H7ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2
• InChIKey: QZVPHVMVWZKULP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-2-carbonyl chloride
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-2-carbonyl chloride
• Synonyms: 2,3-dihydro-1-benzofuran-2-carbonyl chloride

Database IDs

• CAS Number: 27347-32-6
• MDL Number: MFCD03086169
• PubChem SID: 162086727
• PubChem CID: 2795427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0787323
• LogD (pH = 7.4): 2.0787323
• Log P: 2.0787323
• Molar Refractivity: 45.5192 cm^3
• Polarizability: 17.76114 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%