(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
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![(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e04ed7f20e0f4b47a2f764dcb25bab59.png "(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid")
(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
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CAS No:
743445-12-7
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Formula:
C15H14ClF3N2O5S
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Chemical Name:
(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
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Synonyms:
4-{4-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid;MLS000761464;743445-12-7;SMR000371563;(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid;CHEMBL1873173;BDBM56740;cid_2113488;HMS2672D24;ZINC2650295;NE58339;EN300-09671;SR-01000050492;SR-01000050492-1;(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-4-keto-but-2-enoic acid;(2E)-4-(4-{[2-chloro-5-(trifluoromethyl)benzene]sulfonyl}piperazin-1-yl)-4-oxobut-2-enoic acid;(E)-4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid;(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid
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CAS No:
(E)-4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid Basic Attributes
426.8 g/mol
426.0264049 g/mol
Computed Properties
Molecular Weight:426.8
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:426.0264049
Monoisotopic Mass:426.0264049
Topological Polar Surface Area:103
Heavy Atom Count:27
Complexity:699
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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