structure of 1H-Indole-1-carboxylic acid, 2-borono-5-nitro-, 1-(1,1-dimethylethyl) ester

1H-Indole-1-carboxylic acid, 2-borono-5-nitro-, 1-(1,1-dimethylethyl) ester

CAS No.: 1000068-67-6
M. Wt: 306.07900
M. Fa: C13H15BN2O6
InChI Key: XALVHLSGJNNUFQ-UHFFFAOYSA-N

Names and Identifiers of 1000068-67-6

CAS Number

1000068-67-6

IUPAC Name

[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitroindol-2-yl]boronic acid

InChI

InChI=1S/C13H15BN2O6/c1-13(2,3)22-12(17)15-10-5-4-9(16(20)21)6-8(10)7-11(15)14(18)19/h4-7,18-19H,1-3H3

InChIKey

XALVHLSGJNNUFQ-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)[N+](=O)[O-])(O)O

Physical and chemical properties of 1000068-67-6

Exact Mass

306.10200

LogP

1.53570

Molecular Formula

C13H15BN2O6

Molecular Weight

306.07900

PSA

117.51000

Safety Information of 1000068-67-6

Pictograms

Signal Word

 Warning

Safety Data Sheet
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