Basic information
- Standard SMILES
NC(=O)C1CCc2cc(S(=O)(=O)Cl)ccc2O1- InChIKey
CEBYLSASPBRWNQ-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO4S
- Average molar mass
- 275.71 g/mol
- Monoisotopic mass
- 275.0019067
Names & identifiers
- Preferred name
- (+/-)-2-Carbamoylchroman-6-sulfonyl chloride
- IUPAC
- 2-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
Names & synonyms
SCHEMBL4672139CEBYLSASPBRWNQ-UHFFFAOYSA-N(+/-)-2-Carbamoylchroman-6-sulfonyl chloride
Database identifiers
- PubChem CID
- 22471744
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Related reactions
6 records
Compound notes
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