(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
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![(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/420ac50e28dd47278a2ee3fe153de242.png "(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate")
(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
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CAS No:
91050-74-7
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Formula:
C30H35BrO3
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Chemical Name:
(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
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Synonyms:
91050-74-7;DTXSID30919994;2-Bromo-1,2,3,4-tetrahydrotetraphen-1-yl {[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate;Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 2-bromo-1,2,3,4-tetrahydrobenz(a)anthracen-1-yl ester, (1R-(alpha(1S*,2S*),2beta,5alpha))-
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CAS No:
(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate Basic Attributes
523.5 g/mol
522.17696 g/mol
Computed Properties
Molecular Weight:523.5
XLogP3:8.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:522.17696
Monoisotopic Mass:522.17696
Topological Polar Surface Area:35.5
Heavy Atom Count:34
Complexity:695
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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