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2649788-79-2

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2649788-79-2 Structure

2649788-79-2 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2649788-79-2
[Synonyms]

4-Bromo-2-(Boc-amino)-7-fluorobenzo[b]thiophene-3-carbonitrile
tert-butyl N-(4-bromo-3-cyano-7-fluoro-benzothiophen-2-yl)carbamate
tert-butyl N-(4-bromo-3-cyano-7-fluoro-1-benzothiophen-2-yl)carbamate
[Molecular Formula]

C14H12BrFN2O2S
[MOL File]

2649788-79-2.mol
[Molecular Weight]

371.22
Chemical PropertiesBack Directory
[Boiling point ]

440.9±45.0 °C(Predicted)
[density ]

1.58±0.1 g/cm3(Predicted)
[pka]

10.81±0.43(Predicted)
[InChI]

InChI=1S/C14H12BrFN2O2S/c1-14(2,3)20-13(19)18-12-7(6-17)10-8(15)4-5-9(16)11(10)21-12/h4-5H,1-3H3,(H,18,19)
[InChIKey]

MMUAMFJRYGMZAX-UHFFFAOYSA-N
[SMILES]

C(C1=C(SC2=C(C=CC(Br)=C12)F)NC(=O)OC(C)(C)C)#N
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