4-fluoro-3-methoxybenzoyl chloride

• ChemBase ID: 100286
• Molecular Formular: C8H6ClFO2
• Molecular Mass: 188.5834432
• Monoisotopic Mass: 188.00403533
• SMILES: ClC(=O)c1cc(c(cc1)F)OC
• Canonical SMILES: COc1cc(ccc1F)C(=O)Cl
• InChI: InChI=1S/C8H6ClFO2/c1-12-7-4-5(8(9)11)2-3-6(7)10/h2-4H,1H3
• InChIKey: HUDODYDNQSSLJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methoxybenzoyl chloride
• IUPAC Traditional name: 4-fluoro-3-methoxybenzoyl chloride
• Synonyms: 4-Fluoro-3-methoxybenzoyl chloride

Database IDs

• MDL Number: MFCD09864688
• PubChem SID: 162086522
• PubChem CID: 21092937

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.149189
• LogD (pH = 7.4): 2.149189
• Log P: 2.149189
• Molar Refractivity: 43.8523 cm^3
• Polarizability: 16.396955 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive