1,4-dichloro-5-fluorophthalazine

• ChemBase ID: 291940
• Molecular Formular: C8H3Cl2FN2
• Molecular Mass: 217.0272232
• Monoisotopic Mass: 215.96573169
• SMILES: Fc1c2c(Cl)nnc(Cl)c2ccc1
• Canonical SMILES: Fc1cccc2c1c(Cl)nnc2Cl
• InChI: InChI=1S/C8H3Cl2FN2/c9-7-4-2-1-3-5(11)6(4)8(10)13-12-7/h1-3H
• InChIKey: DHGXMZANOVUXAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-5-fluorophthalazine
• IUPAC Traditional name: 1,4-dichloro-5-fluorophthalazine
• Synonyms: 1,4-Dichloro-5-fluorophthalazine

Database IDs

• CAS Number: 23928-47-4
• MDL Number: MFCD16037279
• PubChem SID: 180677471
• PubChem CID: 59560554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5564258
• LogD (pH = 7.4): 2.5564258
• Log P: 2.5564258
• Molar Refractivity: 52.1632 cm^3
• Polarizability: 19.69437 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%