Basic information
- Standard SMILES
Nc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2Cl)c1N- InChIKey
RKIUOPRWJMWSCX-UHFFFAOYSA-N- Molecular formula
- C12H8BrCl3N2O
- Average molar mass
- 382.5 g/mol
Names & identifiers
- Preferred name
- 3-(3-Bromo-2,5-dichlorophenoxy)-4-chlorobenzene-1,2-diamine
- IUPAC
- 3-(3-bromo-2,5-dichlorophenoxy)-4-chlorobenzene-1,2-diamine
Names & synonyms
SCHEMBL2880917RKIUOPRWJMWSCX-UHFFFAOYSA-N3-(3-bromo-2,5-dichlorophenoxy)-4-chlorobenzene-1,2-diamine
Database identifiers
- PubChem CID
- 68426409
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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