2,6-Dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
Basic information
- CAS
16985-09-4- Standard SMILES
Oc1c(Br)cc(C(c2cc(Br)c(O)c(Br)c2)c2ccccn2)cc1Br- InChIKey
SEQFKOVPRSKGMQ-UHFFFAOYSA-N- Molecular formula
- C18H11Br4NO2
- Average molar mass
- 592.9 g/mol
- Monoisotopic mass
- 588.75233
Names & identifiers
- Preferred name
- 2,6-Dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
- IUPAC
- 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
Names & synonyms
16985-09-4NSC1847712,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-pyridin-2-ylmethyl]phenolDTXSID30306966NSC-1847714,4'-[(Pyridin-2-yl)methylene]bis(2,6-dibromophenol)
Database identifiers
- CAS
16985-09-4- PubChem CID
- 302121
- DTXSID
DTXSID30306966
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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