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

• ChemBase ID: 71818
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: n1c(nc(nc1Cl)Cl)CC
• Canonical SMILES: CCc1nc(Cl)nc(n1)Cl
• InChI: InChI=1S/C5H5Cl2N3/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3
• InChIKey: ADVXAMGGIRUOKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-ethyl-1,3,5-triazine
• IUPAC Traditional name: 2,4-dichloro-6-ethyl-1,3,5-triazine
• Synonyms: 2,4-Dichloro-6-ethyl-1,3,5-triazine

Database IDs

• CAS Number: 698-72-6
• MDL Number: MFCD15203623
• PubChem SID: 162037185
• PubChem CID: 12776

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.674282
• LogD (pH = 7.4): 2.674282
• Log P: 2.674282
• Molar Refractivity: 42.7701 cm^3
• Polarizability: 15.410101 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT