2-chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic acid
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2-chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic acid
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CAS No:
1142213-01-1
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Formula:
C13H13ClN2O2S
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Chemical Name:
2-chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic acid
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Synonyms:
2-chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic acid;CTK8A8203;CTK8F4187;ALBB-008173;STK505160;ZINC34926674;AKOS005213974;2-chloro-5-(4,4-dimethyl-2-sulfanylpyrimidin-1(4H)-yl)benzoic acid
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CAS No:
2-chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic acid Basic Attributes
296.77252
296.039
Computed Properties
Molecular Weight:296.77
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:296.0386265
Monoisotopic Mass:296.0386265
Topological Polar Surface Area:84.7
Heavy Atom Count:19
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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