[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
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![[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9a3fbc1c57fa4a65b52420f2a1b91db8.png "[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate")
[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
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CAS No:
101976-90-3
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Formula:
C19H22Cl2O5
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Chemical Name:
[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
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Synonyms:
101976-90-3;DTXSID00906952;Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5aalpha,9abeta)-;[3-(Formyloxy)decahydro-1-benzoxepin-2-yl]methyl 2,4-dichlorobenzoate
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CAS No:
[(2S,3R,5aS,9aR)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate Basic Attributes
401.3 g/mol
400.0844292 g/mol
Computed Properties
Molecular Weight:401.3
XLogP3:5.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:400.0844292
Monoisotopic Mass:400.0844292
Topological Polar Surface Area:61.8
Heavy Atom Count:26
Complexity:489
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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