4-Benzothiazolecarboxylic acid
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4-Benzothiazolecarboxylic acid
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CAS No:
1260529-67-6
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Formula:
C8H5NO2S
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Chemical Name:
4-Benzothiazolecarboxylic acid
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Synonyms:
benzo[d]thiazole-4-carboxylic acid;4-benzothiazolecarboxylic acid;1,3-benzothiazole-4-carboxylic acid;Benzothiazole-4-carboxylic acid;SCHEMBL262049;DTXSID90606752;3830AJ;ZINC82871087;AKOS022910778;CS-W007076
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:179.20
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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