2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
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2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
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CAS No:
114686-12-3
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Formula:
C13H12N2O2S
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Chemical Name:
2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
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Synonyms:
Imitrodast [INN]; 4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylic acid; Benzo[b]thiophene-6-carboxylicacid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl); Imitrodast; 2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid; UNII-JCQ5G1KFHN; 2-(1h-imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid; 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid;Expand
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CAS No:
2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid Basic Attributes
260.31200
260.06194880 g/mol
JCQ5G1KFHN
DTXSID70150829
Computed Properties
Molecular Weight:260.31
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:260.06194880
Monoisotopic Mass:260.06194880
Topological Polar Surface Area:83.4
Heavy Atom Count:18
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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