2-ethoxy-3-methoxybenzoyl chloride

• ChemBase ID: 56854
• Molecular Formular: C10H11ClO3
• Molecular Mass: 214.64554
• Monoisotopic Mass: 214.03967189
• SMILES: c1cc(c(c(c1)OC)OCC)C(=O)Cl
• Canonical SMILES: CCOc1c(OC)cccc1C(=O)Cl
• InChI: InChI=1S/C10H11ClO3/c1-3-14-9-7(10(11)12)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3
• InChIKey: QNWBKBUDIBNWER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-methoxybenzoyl chloride
• IUPAC Traditional name: 2-ethoxy-3-methoxybenzoyl chloride
• Synonyms: 2-Ethoxy-3-methoxybenzoyl chloride

Database IDs

• MDL Number: MFCD11939618
• PubChem SID: 162061617
• PubChem CID: 21314777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2056239
• LogD (pH = 7.4): 2.2056239
• Log P: 2.2056239
• Molar Refractivity: 54.8477 cm^3
• Polarizability: 21.000027 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false