2,2',2''-Nitrilotris(5-bromophenol)
Basic information
- CAS
831220-47-4- Standard SMILES
Oc1cc(Br)ccc1N(c1ccc(Br)cc1O)c1ccc(Br)cc1O- InChIKey
YUYHRKPEUZWWCX-UHFFFAOYSA-N- Molecular formula
- C18H12Br3NO3
- Average molar mass
- 530 g/mol
- Monoisotopic mass
- 526.83673
Names & identifiers
- Preferred name
- 2,2',2''-Nitrilotris(5-bromophenol)
- IUPAC
- 5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol
Names & synonyms
831220-47-4DTXSID908356462,2',2''-Nitrilotris(5-bromophenol)
Database identifiers
- CAS
831220-47-4- PubChem CID
- 71416248
- DTXSID
DTXSID90835646- Nikkaji
- J2.120.608C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…