4-fluorobenzene-1,3-dicarbonyl dichloride

• ChemBase ID: 180243
• Molecular Formular: C8H3Cl2FO2
• Molecular Mass: 221.0126232
• Monoisotopic Mass: 219.94941292
• SMILES: c1(cc(C(=O)Cl)ccc1F)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccc(c(c1)C(=O)Cl)F
• InChI: InChI=1S/C8H3Cl2FO2/c9-7(12)4-1-2-6(11)5(3-4)8(10)13/h1-3H
• InChIKey: FZQOFIVDXNZKTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorobenzene-1,3-dicarbonyl dichloride
• IUPAC Traditional name: 4-fluorobenzene-1,3-dicarbonyl dichloride
• Synonyms: 4-fluorobenzene-1,3-dioyl dichloride

Database IDs

• CAS Number: 327-94-6
• PubChem SID: 164236153
• PubChem CID: 21419886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.497773
• LogD (pH = 7.4): 2.497773
• Log P: 2.497773
• Molar Refractivity: 48.5038 cm^3
• Polarizability: 17.764282 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true