Structure

Tibric acid

CAS
37087-94-8
Catalog Number
ACM37087948
Category
Other Products
Molecular Weight
331.818
Molecular Formula
C14H18ClNO4S

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Specification

Synonyms
EINECS 253-344-0; C14H18ClNO4S; Tibric acid; 2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid; Acido tibrico [INN-Spanish]; EINECS 246-198-4; Acide tibrique [INN-French]; Acidum tibricum [INN-Latin];
IUPAC Name
2-chloro-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid
Canonical SMILES
CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C
InChI Key
IFXSWTIWFGIXQO-AOOOYVTPSA-N
Boiling Point
488.2ºC at 760mmHg
Flash Point
249.1ºC
Density
1.331g/cm³
EC Number
253-344-0
Exact Mass
331.06500
H-Bond Acceptor
5
H-Bond Donor
1
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