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2649788-76-9

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2649788-76-9 Structure

2649788-76-9 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2649788-76-9
[Synonyms]

2-(Boc-amino)-3-cyanobenzo[b]thiophene-4-boronic Acid Pinacol Ester
tert-butyl N-[3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzothiophen-2-yl]carbamate
tert-Butyl (3-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophen-2-yl)carbamate
[Molecular Formula]

C20H25BN2O4S
[MOL File]

2649788-76-9.mol
[Molecular Weight]

400.3
Chemical PropertiesBack Directory
[Boiling point ]

517.4±50.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[pka]

11.68±0.43(Predicted)
[InChI]

InChI=1S/C20H25BN2O4S/c1-18(2,3)25-17(24)23-16-12(11-22)15-13(9-8-10-14(15)28-16)21-26-19(4,5)20(6,7)27-21/h8-10H,1-7H3,(H,23,24)
[InChIKey]

KPFYQWZJXGACBZ-UHFFFAOYSA-N
[SMILES]

C(C1=C(SC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C12)NC(=O)OC(C)(C)C)#N
Spectrum DetailBack Directory
[Spectrum Detail]

INDEX NAME NOT YET ASSIGNED(2649788-76-9)1HNMR
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