(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/819b5d0bd5b64dce97b19b2a1f26ab58.png "(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
24138-28-1
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Formula:
C8H10BrNO3S
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Chemical Name:
(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-bromo-3,3-dimethyl-7-oxo-,(2S,5R,6S)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-bromo-3,3-dimethyl-7-oxo-,stereoisomer;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-bromo-3,3-dimethyl-7-oxo-,[2S-(2α,5α,6α)]-;(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6α-Bromopenicillanic acid
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CAS No:
(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
280.14 g/mol
280.14
246-028-9
Computed Properties
Molecular Weight:280.14
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:278.95648
Monoisotopic Mass:278.95648
Topological Polar Surface Area:82.9
Heavy Atom Count:14
Complexity:320
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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