5-Bromo-1H-indazole-3-carboxylic acid

CAS: 1077-94-7

Ref. 3D-FB56350

Product Information

• Name: 5-Bromo-1H-indazole-3-carboxylic acid
• Synonyms: 5-Bromoindazole-3-carboxylic acid, 1H-Indazole-3-Carboxylic Acid, 5-Bromo-, 5-Bromoindazole-3-Carboxylic Acid, 5-Bromo-3-Indazolecarboxylic Acid, 5-Bromo-1H-indazole-3-carboxylicacid

Description

5-Bromo-1H-indazole-3-carboxylic acid is a hydrogen bond donor. It is also an intramolecular hydrogen bond acceptor and a cross-coupling agent, which means that it can be used to synthesize derivatives of indazoles. 5-Bromo-1H-indazole-3-carboxylic acid crystallizes in the monoclinic space group P2 with cell dimensions a = 12.858 Å, b = 18.922 Å, c = 8.738 Å, α = 90°, β = 97° and γ = 91°. The crystal structure has been solved by XRD analysis and shows the molecule to be planar with an intramolecular hydrogen bond to the indazole nitrogens of the carboxylate moiety. Elemental analysis showed the presence of H (0.78%), Br (97%) and

• Brand: Biosynth

Chemical properties

• Molecular weight: 241.04 g/mol
• Formula: C₈H₅BrN₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
• InChI key: InChIKey=AMJVXOOGGBPVCZ-UHFFFAOYSA-N
• SMILES: O=C(O)c1n[nH]c2ccc(Br)cc12