3-[(4-Bromophenyl)thio]-2-oxopropanoic acid
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![3-[(4-Bromophenyl)thio]-2-oxopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/70bbd6aa184449b9ad5676e02e50d5e2.png "3-[(4-Bromophenyl)thio]-2-oxopropanoic acid")
3-[(4-Bromophenyl)thio]-2-oxopropanoic acid
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CAS No:
104186-14-3
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Formula:
C9H7BrO3S
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Chemical Name:
3-[(4-Bromophenyl)thio]-2-oxopropanoic acid
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Synonyms:
Propanoic acid,3-[(4-bromophenyl)thio]-2-oxo-;Pyruvic acid,(p-bromophenylthio)-;3-[(4-Bromophenyl)thio]-2-oxopropanoic acid;(4-Bromo-phenylsulfanyl)-pyruvic acid
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CAS No:
Description
(4-bromophenylsulfanyl)pyruvic acid is a 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position. It is a 2-oxo monocarboxylic acid, an aryl sulfide and an organobromine compound. It derives from a pyruvic acid and a bromobenzene. It is a conjugate acid of a (4-bromophenylsulfanyl)pyruvate.
Computed Properties
Molecular Weight:275.12
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:273.92993
Monoisotopic Mass:273.92993
Topological Polar Surface Area:79.7
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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