Basic information
- Standard SMILES
O=C(CCl)NCc1cc2c(c(S(=O)(=O)Cl)c1O)CCC2- InChIKey
RCEOYZMZYOKZRC-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2NO4S
- Average molar mass
- 338.2 g/mol
Names & identifiers
- Preferred name
- 6-(N-Chloroacetylaminomethyl)-5-hydroxy-4-chlorosulfonylindane
- IUPAC
- 6-[[(2-chloroacetyl)amino]methyl]-5-hydroxy-2,3-dihydro-1H-indene-4-sulfonyl chloride
Names & synonyms
SCHEMBL10641764RCEOYZMZYOKZRC-UHFFFAOYSA-N6-(N-Chloroacetylaminomethyl)-5-hydroxy-4-chlorosulfonylindane
Database identifiers
- PubChem CID
- 21296931
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 465
Related reactions
6 records
Compound notes
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