3-chloro-1,1-dioxo-1-benzothiophene-2-carboxylic acid
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3-chloro-1,1-dioxo-1-benzothiophene-2-carboxylic acid
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CAS No:
21211-27-8
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Formula:
C9H5ClO4S
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Chemical Name:
3-chloro-1,1-dioxo-1-benzothiophene-2-carboxylic acid
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Synonyms:
NSC623632;21211-27-8;benzo[b]thiophene-2-carboxylic acid,3-chloro-,1,1-dioxide;CHEMBL1965028;DTXSID90326948;{2-Benzo[b]thiophenecarboxylic} acid, 3-chloro-, S,S-dioxide;ZINC1617297;NSC-623632;NCI60_007003;2-Benzo[b]thiophenecarboxylic acid, S,S-dioxide;3-chloro-1,1-dioxo-benzothiophene-2-carboxylic acid;3-Chloro-1-benzothiophene-2-carboxylic acid 1,1-dioxide
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CAS No:
3-chloro-1,1-dioxo-1-benzothiophene-2-carboxylic acid Basic Attributes
244.65 g/mol
243.9597075 g/mol
623632
DTXSID90326948
Computed Properties
Molecular Weight:244.65
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:243.9597075
Monoisotopic Mass:243.9597075
Topological Polar Surface Area:79.8
Heavy Atom Count:15
Complexity:432
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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