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The molecular formula of 3-Bromoindole-5-carboxylic Acid is C9H6BrNO2.
The molecular weight of 3-Bromoindole-5-carboxylic Acid is 240.05 g/mol.
The IUPAC name of 3-Bromoindole-5-carboxylic Acid is 3-bromo-1H-indole-5-carboxylic acid.
The InChI of 3-Bromoindole-5-carboxylic Acid is InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13).
The InChIKey of 3-Bromoindole-5-carboxylic Acid is VCNFRMMIMOPFGP-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromoindole-5-carboxylic Acid is C1=CC2=C(C=C1C(=O)O)C(=CN2)Br.
The CAS number of 3-Bromoindole-5-carboxylic Acid is 916179-87-8.
The molecular weight of 3-Bromoindole-5-carboxylic Acid computed by PubChem is 240.05 g/mol.
3-Bromoindole-5-carboxylic Acid has 2 hydrogen bond donor count.
3-Bromoindole-5-carboxylic Acid has 1 rotatable bond count.
916176-50-6
916176-53-9
916176-69-7
916179-88-9
91618-22-3
91618-36-9
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