2,4,6-TRICHLOROPHENOXYACETIC ACID

• CAS: 575-89-3
• Catalog Number: ACM575893
• Category: Other Products
• Molecular Weight: 255.5
• Molecular Formula: C8H5Cl3O3
• Synonyms: Acetic acid, (2,4,6-trichlorophenoxy)-
• IUPAC Name: 2-(2,4,6-trichlorophenoxy)acetic acid
• Canonical SMILES: C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl
• InChI Key: KZDCLQBOHGBWOI-UHFFFAOYSA-N
• Melting Point: 185℃
• Complexity: 200
• Defined Atom Stereocenter Count: 0
• EC Number: 209-394-0
• Exact Mass: 253.9304
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 253.9304
• Rotatable Bond Count: 3
• Safety Description: 22-36/37/39
• Topological Polar Surface Area: 46.5 Ų
• XLogP3-AA: 3.6