1-Methylethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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1-Methylethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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CAS No:
146145-21-3
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Formula:
C18H24INO2
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Chemical Name:
1-Methylethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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Synonyms:
8-Azabicyclo[3.2.1]octane-2-carboxylic acid,3-(4-iodophenyl)-8-methyl-,1-methylethyl ester,(1R,2S,3S,5S)-;8-Azabicyclo[3.2.1]octane-2-carboxylic acid,3-(4-iodophenyl)-8-methyl-,1-methylethyl ester,[1R-(exo,exo)]-;1-Methylethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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CAS No:
1-Methylethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Basic Attributes
413.3 g/mol
413.29
Computed Properties
Molecular Weight:413.3
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:413.08518
Monoisotopic Mass:413.08518
Topological Polar Surface Area:29.5
Heavy Atom Count:22
Complexity:406
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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