Basic information
- Standard SMILES
C=CCC(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O- InChIKey
RBVKHZDRCSBTSO-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O4S
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 361.9894834
Names & identifiers
- Preferred name
- 1-(1,4-Dihydro-6,7-dichloro-2,3-dioxoquinoxaline-5-yl)-3-butenyl methyl sulphone
- IUPAC
- 6,7-dichloro-5-(1-methylsulfonylbut-3-enyl)-1,4-dihydroquinoxaline-2,3-dione
Names & synonyms
SCHEMBL7476447RBVKHZDRCSBTSO-UHFFFAOYSA-N1-(1,4-Dihydro-6,7-dichloro-2,3-dioxoquinoxaline-5-yl)-3-butenyl methyl sulphone
Database identifiers
- PubChem CID
- 22097010
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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