1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate
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1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate
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CAS No:
352359-23-0
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Formula:
C13H15BFNO4
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Chemical Name:
1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate
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Synonyms:
1H-Indole-1-carboxylic acid,2-borono-5-fluoro-,1-(1,1-dimethylethyl) ester;1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate;[1-[[(1,1-Dimethylethyl)oxy]carbonyl]-5-fluoro-1H-indol-2-yl]boronic acid;[1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid;1-Boc-5-fluoroindole-2-boronic Acid
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CAS No:
1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate Basic Attributes
279.07
279.07
DTXSID40376877
2933990090
Characteristics
71.69000
1.24340
1.24±0.1 g/cm3
130-140
446.5±55.0 °C(Predicted)
223.8ºC
1.534
Keep Cold
7.79±0.30
Safety Information
Xi
|Warning|H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:279.07
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:279.1078163
Monoisotopic Mass:279.1078163
Topological Polar Surface Area:71.7
Heavy Atom Count:20
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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