2,3,6-Trichloroanisole

• CAS: 50375-10-5
• Catalog Number: ACM50375105
• Category: Other Products
• Molecular Weight: 211.5
• Molecular Formula: C7H5Cl3O
• Synonyms: 1,2,4-Trichloro-3-methoxybenzene
• IUPAC Name: 1,2,4-trichloro-3-methoxybenzene
• Canonical SMILES: COC1=C(C=CC(=C1Cl)Cl)Cl
• InChI Key: OTFNCXLUCRUNCH-UHFFFAOYSA-N
• Boiling Point: 254.1ºC at 760 mmHg
• Flash Point: 100.4ºC
• Density: 1.416 g/cm³
• Complexity: 131
• Defined Atom Stereocenter Count: 0
• EC Number: 256-561-9
• Exact Mass: 209.9405
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 209.9405
• Rotatable Bond Count: 1
• Safety Description: 22-24/25
• Topological Polar Surface Area: 9.2 Ų
• XLogP3-AA: 4