[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate
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![[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1d47918f7ed1476c855f899c71371240.png "[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate")
[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate
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CAS No:
101858-86-0
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Formula:
C18H21Cl2IO3
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Chemical Name:
[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate
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Synonyms:
101858-86-0;DTXSID50906765;Benzoic acid, 2,4-dichloro-, (octahydro-3-iodo-2-methyl-2H-1-benzopyran-2-yl)methyl ester, (2alpha,3beta,4aalpha,8abeta)-;(3-Iodo-2-methyloctahydro-2H-1-benzopyran-2-yl)methyl 2,4-dichlorobenzoate
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CAS No:
[(2S,3R,4aS,8aR)-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]methyl 2,4-dichlorobenzoate Basic Attributes
483.2 g/mol
481.99125 g/mol
Computed Properties
Molecular Weight:483.2
XLogP3:6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:481.99125
Monoisotopic Mass:481.99125
Topological Polar Surface Area:35.5
Heavy Atom Count:24
Complexity:464
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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