Basic information
- Standard SMILES
O=c1c(Nc2ccccc2O)c(Nc2ccccc2Cl)c1=O- InChIKey
JICRAUGSNJAXGS-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O3
- Average molar mass
- 314.72 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chloroanilino)-4-(2-hydroxyanilino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(2-chloroanilino)-4-(2-hydroxyanilino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL6103616JICRAUGSNJAXGS-UHFFFAOYSA-N3-(2-chloroanilino)-4-(2-hydroxyanilino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 9901428
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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