1-chloro-4-(2,5-difluorophenyl)phthalazine

• ChemBase ID: 248621
• Molecular Formular: C14H7ClF2N2
• Molecular Mass: 276.6685864
• Monoisotopic Mass: 276.02658235
• SMILES: c1(nnc(c2c1cccc2)Cl)c1c(ccc(c1)F)F
• Canonical SMILES: Fc1ccc(c(c1)c1nnc(c2c1cccc2)Cl)F
• InChI: InChI=1S/C14H7ClF2N2/c15-14-10-4-2-1-3-9(10)13(18-19-14)11-7-8(16)5-6-12(11)17/h1-7H
• InChIKey: APBSQDUZXSGGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(2,5-difluorophenyl)phthalazine
• IUPAC Traditional name: 1-chloro-4-(2,5-difluorophenyl)phthalazine
• Synonyms: 1-chloro-4-(2,5-difluorophenyl)phthalazine

Database IDs

• MDL Number: MFCD06660834
• PubChem SID: 164304531
• PubChem CID: 4962121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9079814
• LogD (pH = 7.4): 3.9079816
• Log P: 3.9079816
• Molar Refractivity: 71.2777 cm^3
• Polarizability: 28.26355 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%