4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1)
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/619eacfbe61c45fe87edceb03d8c2f47.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1)")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1)
structure -
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CAS No:
94134-57-3
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Formula:
C12H23N.C8H10BrNO3S
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1)
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-bromo-3,3-dimethyl-7-oxo-,[2S-(2α,5α,6α)]-,compd. with N-cyclohexylcyclohexanamine (1:1);Dicyclohexylammonium 6α-bromopenicillanate;111487-89-9
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6α)]-, compd. with N-cyclohexylcyclohexanamine (1:1) Basic Attributes
461.45662
460.14
302-827-5
Computed Properties
Molecular Weight:461.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:460.13953
Monoisotopic Mass:460.13953
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:430
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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