1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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CAS No:
125437-42-5
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Formula:
C11H9ClN2O6S
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Chemical Name:
1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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Synonyms:
1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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CAS No:
1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid Basic Attributes
332.71696
331.98700
DTXSID80697932
Computed Properties
Molecular Weight:332.72
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:331.9869849
Monoisotopic Mass:331.9869849
Topological Polar Surface Area:133
Heavy Atom Count:21
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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