1-chloro-4-hydrazinylphthalazine

• ChemBase ID: 306838
• Molecular Formular: C8H7ClN4
• Molecular Mass: 194.62098
• Monoisotopic Mass: 194.03592392
• SMILES: n1c(c2c(c(n1)Cl)cccc2)NN
• Canonical SMILES: NNc1nnc(c2c1cccc2)Cl
• InChI: InChI=1S/C8H7ClN4/c9-7-5-3-1-2-4-6(5)8(11-10)13-12-7/h1-4H,10H2,(H,11,13)
• InChIKey: UQTJGZYAFKMABR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-hydrazinylphthalazine
• IUPAC Traditional name: 1-chloro-4-hydrazinylphthalazine
• Synonyms: 1-chloro-4-hydrazinophthalazine

Database IDs

• CAS Number: 51935-42-3
• MDL Number: MFCD00490041

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5106093
• LogD (pH = 7.4): 1.5747224
• Log P: 1.5756022
• Molar Refractivity: 56.1009 cm^3
• Polarizability: 20.553244 Å^3
• Polar Surface Area: 63.83 Å^2