Basic information
- CAS
88136-38-3- Standard SMILES
COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N=C=O)o1- InChIKey
ODUMSUXAAWUGKC-UHFFFAOYSA-N- Molecular formula
- C13H9NO6S
- Average molar mass
- 307.28 g/mol
- Monoisotopic mass
- 307.01505818
Names & identifiers
- Preferred name
- Methyl 5-{2-[(oxomethylidene)sulfamoyl]phenyl}furan-2-carboxylate
- IUPAC
- methyl 5-(2-isocyanatosulfonylphenyl)furan-2-carboxylate
Names & synonyms
88136-38-3SCHEMBL10627819DTXSID10545457ODUMSUXAAWUGKC-UHFFFAOYSA-NMethyl 5-{2-[(oxomethylidene)sulfamoyl]phenyl}furan-2-carboxylate2-(Carbomethoxyfur-5-yl)benzenesulfonyl isocyanate2-(2-Carbomethoxyfur-5-yl)benzenesulfonyl isocyanate
Database identifiers
- CAS
88136-38-3- PubChem CID
- 13630968
- DTXSID
DTXSID10545457
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 533
Related reactions
9 records
Compound notes
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