1,4-dichloro-6-methylphthalazine

• ChemBase ID: 293987
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: Cc1cc2c(c(Cl)nnc2Cl)cc1
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)nnc2Cl
• InChI: InChI=1S/C9H6Cl2N2/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10/h2-4H,1H3
• InChIKey: GOOJANMHEJCGHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-6-methylphthalazine
• IUPAC Traditional name: 1,4-dichloro-6-methylphthalazine
• Synonyms: 1,4-Dichloro-6-methylphthalazine

Database IDs

• CAS Number: 345903-80-2
• MDL Number: MFCD09038128
• PubChem SID: 180679518
• PubChem CID: 11435813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9271452
• LogD (pH = 7.4): 2.9271452
• Log P: 2.9271452
• Molar Refractivity: 56.988 cm^3
• Polarizability: 21.716137 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%