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

• ChemBase ID: 60299
• Molecular Formular: C4H3Cl2N3
• Molecular Mass: 163.99272
• Monoisotopic Mass: 162.97040247
• SMILES: n1c(nc(nc1Cl)Cl)C
• Canonical SMILES: Cc1nc(Cl)nc(n1)Cl
• InChI: InChI=1S/C4H3Cl2N3/c1-2-7-3(5)9-4(6)8-2/h1H3
• InChIKey: BFUGAHPTVMZLAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1973-04-2
• MDL Number: MFCD15203622
• PubChem SID: 162026040
• PubChem CID: 16083

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0253122
• LogD (pH = 7.4): 2.0253122
• Log P: 2.0253122
• Molar Refractivity: 38.1432 cm^3
• Polarizability: 13.602299 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false