Basic information
- CAS
64505-59-5- Standard SMILES
CCc1ccc(NC2=C(Br)C(=O)c3ccccc3C2=O)cc1- InChIKey
RHRFJZZYUBLGAN-UHFFFAOYSA-N- Molecular formula
- C18H14BrNO2
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.02079
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-bromo-3-((4-ethylphenyl)amino)-
- IUPAC
- 2-bromo-3-(4-ethylanilino)naphthalene-1,4-dione
Names & synonyms
64505-59-51,4-Naphthalenedione, 2-bromo-3-((4-ethylphenyl)amino)-2-bromo-3-(4-ethylanilino)naphthalene-1,4-dione1,4-Naphthalenedione, 2-bromo-3-[(4-ethylphenyl)amino]-DTXSID70214773
Database identifiers
- CAS
64505-59-5- PubChem CID
- 469392
- DTXSID
DTXSID70214773
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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