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2649788-80-5

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2649788-80-5 Structure

2649788-80-5 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2649788-80-5
[Synonyms]

tert-Butyl (3-cyano-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-7-fluorobenzo[b]thiophen-2-yl)carbamate
tert-butyl N-[3-cyano-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-7-fluoro-benzothiophen-2-yl]carbamate
[Molecular Formula]

C19H22BFN2O4S
[MOL File]

2649788-80-5.mol
[Molecular Weight]

404.26
Chemical PropertiesBack Directory
[Boiling point ]

521.5±50.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

11.20±0.43(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C19H22BFN2O4S/c1-18(2,3)27-17(24)23-16-11(8-22)14-12(6-7-13(21)15(14)28-16)20-25-9-19(4,5)10-26-20/h6-7H,9-10H2,1-5H3,(H,23,24)
[InChIKey]

YGHCWKONJMTFIZ-UHFFFAOYSA-N
[SMILES]

C(C1=C(SC2=C(F)C=CC(B3OCC(C)(C)CO3)=C12)NC(=O)OC(C)(C)C)#N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, N-[3-cyano-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-7-fluorobenzo[b]thien-2-yl]-, 1,1-dimethylethyl ester(2649788-80-5)1HNMR
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