3,5-Dibromobenzoic acid

• CAS: 618-58-6
• Catalog Number: ACM-MO-618586
• Category: Bromine Series; Dendrimer Building Blocks
• Molecular Weight: 279.91 g/mol
• Molecular Formula: C7H4Br2O2
• Synonyms: 3,5-dibromobenzoic acid
• IUPAC Name: 3,5-dibromobenzoic acid
• Canonical SMILES: C1=C(C=C(C=C1Br)Br)C(=O)O
• InChI: InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: SFTFNJZWZHASAQ-UHFFFAOYSA-N
• Boiling Point: 355.2±32.0 °C (Predicted)
• Melting Point: 218-220 °C (lit.)
• Appearance: White to Light Yellow Powder to Crystal
• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Exact Mass: 279.85576g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 277.8578g/mol
• Refractive Index: 1.4970 (estimate)
• Rotatable Bond Count: 1
• Specific Gravity: 1.97
• XLogP3: 3