2,3,4,5-Tetrabromobenzoic acid

• CAS: 27581-13-1
• Catalog Number: ACM27581131-1
• Category: Other Products
• Molecular Weight: 437.7
• Molecular Formula: C7H2Br4O2
• Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O
• InChI: InChI=1S/C7H2Br4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
• InChI Key: KVILQONZZZERSG-UHFFFAOYSA-N
• Boiling Point: 431.0±45.0 °C
• Melting Point: 234 °C
• Density: 2.625±0.06 g/cm3
• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 437.67473
• Formal Charge: 0
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 433.67883
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 37.3 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

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A pharmaceutical intermediate
In drug synthesis, 2,3,4,5-tetrabromobenzoic acid provides a benzene ring group for drug molecules.