2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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![2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1fc740d823954c2280c6a8b910ac4d17.png "2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid")
2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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CAS No:
879476-96-7
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Formula:
C13H8ClN5O3S
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Chemical Name:
2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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Synonyms:
ZINC9016004;STK328696;STK579655;AKOS005437563;AKOS005503678;MCULE-5707336682;2-chloro-5-[3-(6-hydroxypyridazin-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid;2-chloro-5-[3-(6-oxo-1,6-dihydropyridazin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid;879476-96-7
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CAS No:
2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Basic Attributes
349.75 g/mol
349.0036380 g/mol
Computed Properties
Molecular Weight:349.75
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:349.0036380
Monoisotopic Mass:349.0036380
Topological Polar Surface Area:139
Heavy Atom Count:23
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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