2-(2,3-dihydro-1H-inden-5-yloxy)acetyl chloride

• ChemBase ID: 56670
• Molecular Formular: C11H11ClO2
• Molecular Mass: 210.65684
• Monoisotopic Mass: 210.04475727
• SMILES: c12c(ccc(c1)OCC(=O)Cl)CCC2
• Canonical SMILES: ClC(=O)COc1ccc2c(c1)CCC2
• InChI: InChI=1S/C11H11ClO2/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2
• InChIKey: MZQAIEWMTIEPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetyl chloride
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetyl chloride
• Synonyms: (2,3-Dihydro-1H-inden-5-yloxy)acetyl chloride

Database IDs

• MDL Number: MFCD11939496
• PubChem SID: 162061433
• PubChem CID: 20109507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.834573
• LogD (pH = 7.4): 2.834573
• Log P: 2.834573
• Molar Refractivity: 55.3455 cm^3
• Polarizability: 21.277042 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false