Basic information
- CAS
861334-92-1- Standard SMILES
O=C1C(Nc2ccccc2)=C(Cl)C(=O)c2c(Br)cccc21- InChIKey
ZYDAHJPOAJFVMM-UHFFFAOYSA-N- Molecular formula
- C16H9BrClNO2
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 360.95052
Names & identifiers
- Preferred name
- 5-Bromo-3-chloro-2-(phenylamino)naphthalene-1,4-dione
- IUPAC
- 2-anilino-5-bromo-3-chloronaphthalene-1,4-dione
Names & synonyms
5-Bromo-3-chloro-2-(phenylamino)naphthalene-1,4-dione861334-92-1DTXSID2012146922-Anilino-5-bromo-3-chloronaphthalene-1,4-dione5-Bromo-3-chloro-2-(phenylamino)-1,4-naphthalenedione
Database identifiers
- CAS
861334-92-1- PubChem CID
- 135396331
- DTXSID
DTXSID201214692
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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