Basic information
- CAS
339240-95-8- Standard SMILES
O=C(Oc1c(Br)cc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1Br)c1ccccc1- InChIKey
UBCCWDGGTRKEEO-UHFFFAOYSA-N- Molecular formula
- C26H17Br2N3O2
- Average molar mass
- 563.2 g/mol
- Monoisotopic mass
- 560.96875
Names & identifiers
- Preferred name
- Phenol, 2,6-dibromo-4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]-, 1-benzoate
- IUPAC
- [2,6-dibromo-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] benzoate
Names & synonyms
DTXSID001040487AKOS001733667339240-95-82,6-dibromo-4-({[4-(phenyldiazenyl)phenyl]imino}methyl)phenyl benzoatePhenol, 2,6-dibromo-4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]-, 1-benzoate
Database identifiers
- CAS
339240-95-8- PubChem CID
- 3647828
- DTXSID
DTXSID001040487
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…