6-bromo-3,5-dichloro-1,2,4-triazine

• ChemBase ID: 801503
• Molecular Formular: C3BrCl2N3
• Molecular Mass: 228.8622
• Monoisotopic Mass: 226.86526438
• SMILES: n1nc(nc(c1Br)Cl)Cl
• Canonical SMILES: Clc1nnc(c(n1)Cl)Br
• InChI: InChI=1S/C3BrCl2N3/c4-1-2(5)7-3(6)9-8-1
• InChIKey: XYCUVRFDNBCPDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3,5-dichloro-1,2,4-triazine
• IUPAC Traditional name: 6-bromo-3,5-dichloro-1,2,4-triazine
• Synonyms: 6-BROMO-3,5-DICHLORO-1,2,4-TRIAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7770123
• LogD (pH = 7.4): 1.7770123
• Log P: 1.7770123
• Molar Refractivity: 42.4153 cm^3
• Polarizability: 15.067888 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%