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

• ChemBase ID: 802844
• Molecular Formular: C3HCl2N3
• Molecular Mass: 149.96614
• Monoisotopic Mass: 148.95475241
• SMILES: n1nc(nc(c1)Cl)Cl
• Canonical SMILES: Clc1cnnc(n1)Cl
• InChI: InChI=1S/C3HCl2N3/c4-2-1-6-8-3(5)7-2/h1H
• InChIKey: KPIJYRPECFTEDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 59631-75-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8027377
• LogD (pH = 7.4): 0.8027377
• Log P: 0.8027377
• Molar Refractivity: 33.9503 cm^3
• Polarizability: 11.843488 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%