1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
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1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
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CAS No:
348640-12-0
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Formula:
C14H13BrN2O2
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Chemical Name:
1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
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Synonyms:
1H-Indole-1-carboxylic acid,3-bromo-5-cyano-,1,1-dimethylethyl ester;1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate;3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester;1-Boc-3-Bromo-5-cyanoindole
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CAS No:
1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate Basic Attributes
321.17
321.17
DTXSID50654335
2933990090
Safety Information
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:321.17
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:320.01604
Monoisotopic Mass:320.01604
Topological Polar Surface Area:55
Heavy Atom Count:19
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
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