913376-56-4 Purity
96%
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Specification
The molecular formula of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is C14H16BNO5.
The synonyms for 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester include 913388-54-2, (1-(tert-Butoxycarbonyl)-5-formyl-1H-indol-2-yl)boronic acid, and others.
The molecular weight of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is 289.09 g/mol.
The IUPAC name of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is [5-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
The InChI code of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is InChI=1S/C14H16BNO5/c1-14(2,3)21-13(18)16-11-5-4-9(8-17)6-10(11)7-12(16)15(19)20/h4-8,19-20H,1-3H3.
The InChIKey of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is RNWAFVRASZKNCT-UHFFFAOYSA-N.
The canonical SMILES of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C=O)(O)O.
The CAS number of 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is 913388-54-2.
Yes, 2-Borono-5-formyl-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester is an EPA DSSTox substance with the Substance ID DTXSID50723272.