Basic information
- Standard SMILES
Cc1c(-c2ccccc2)oc2c(S(=O)(=O)Cl)cccc2c1=O- InChIKey
VFGSIUUJUAKBIS-UHFFFAOYSA-N- Molecular formula
- C16H11ClO4S
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.0066577
Names & identifiers
- Preferred name
- 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonyl chloride
- IUPAC
- 3-methyl-4-oxo-2-phenylchromene-8-sulfonyl chloride
Names & synonyms
SCHEMBL8876969VFGSIUUJUAKBIS-UHFFFAOYSA-N3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonyl chloride
Database identifiers
- PubChem CID
- 19972799
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 584
Related reactions
10 records
Compound notes
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