6,6'-{[5-(Trifluoromethyl)-1,3-phenylene]bis(azanediylmethanylylidene)}bis(2,4-dibromocyclohexa-2,4-dien-1-one)
Basic information
- CAS
6619-44-9- Standard SMILES
Oc1c(Br)cc(Br)cc1C=Nc1cc(N=Cc2cc(Br)cc(Br)c2O)cc(C(F)(F)F)c1- InChIKey
PCQHUBKZFNAQCZ-UHFFFAOYSA-N- Molecular formula
- C21H11Br4F3N2O2
- Average molar mass
- 699.9 g/mol
- Monoisotopic mass
- 695.75061
Names & identifiers
- Preferred name
- 6,6'-{[5-(Trifluoromethyl)-1,3-phenylene]bis(azanediylmethanylylidene)}bis(2,4-dibromocyclohexa-2,4-dien-1-one)
- IUPAC
- 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-(trifluoromethyl)phenyl]iminomethyl]phenol
Names & synonyms
6619-44-9DTXSID204257116,6'-{[5-(Trifluoromethyl)-1,3-phenylene]bis(azanediylmethanylylidene)}bis(2,4-dibromocyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
6619-44-9- PubChem CID
- 5201439
- DTXSID
DTXSID20425711
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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