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

• ChemBase ID: 288350
• Molecular Formular: C9H5Cl2N3
• Molecular Mass: 226.0621
• Monoisotopic Mass: 224.98605254
• SMILES: Clc1nc(c2ccccc2)nc(Cl)n1
• Canonical SMILES: Clc1nc(Cl)nc(n1)c1ccccc1
• InChI: InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
• InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1700-02-3
• PubChem SID: 180673881
• PubChem CID: 15549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8686519
• LogD (pH = 7.4): 3.8686519
• Log P: 3.8686519
• Molar Refractivity: 68.9299 cm^3
• Polarizability: 21.961475 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%