(2R)-6,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid

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Basic information

CAS: 108940-98-3
Standard SMILES: CN(C)S(=O)(=O)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2
InChIKey: ZTFUDCAAHOVUPH-ZCFIWIBFSA-N
Molecular formula: C11H11Cl2NO5S
Average molar mass: 340.2 g/mol
Monoisotopic mass: 338.973499

Names & identifiers

Preferred name: (2R)-6,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid
IUPAC: (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
English name: (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylic acid
Molecular formula: C11H11Cl2NO5S
Molecular weight: 0

Names & synonyms

108940-98-3DTXSID501127773(2R)-6,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid(2R)-6,7-Dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydro-2-benzofurancarboxylic acidRefChem:1049859DTXCID301559277(2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acidS-8666 (+)(R)-2,3-Dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-2-benzofurancarboxylic acid2-Benzofurancarboxylic acid, 2,3-dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-, (R)-SCHEMBL10428065(2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylic acid

Database identifiers

CAS: 108940-98-3
PubChem CID: 60277
DTXSID: DTXSID501127773
Nikkaji: J386.531B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 92.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 492

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