rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid
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![rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/57ed158db78d439b9e6e6e982cb5423c.png "rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid")
rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid
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CAS No:
37087-94-8
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Formula:
C14H18ClNO4S
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Chemical Name:
rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid
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Synonyms:
Benzoic acid,2-chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-,rel-;Benzoic acid,2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-,cis-;rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid;Tibric acid;CP 18524
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CAS No:
rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid Basic Attributes
331.81500
331.82
253-344-0
LK312SQ24Z
DTXSID1020277
2935009090
Computed Properties
Molecular Weight:331.8
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:331.0645069
Monoisotopic Mass:331.0645069
Topological Polar Surface Area:83.1
Heavy Atom Count:21
Complexity:480
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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