2-[Bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid
Basic information
- CAS
28818-25-9- Standard SMILES
O=C(O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1- InChIKey
SACPOXDCLJOPIM-UHFFFAOYSA-N- Molecular formula
- C20H12Br4O4
- Average molar mass
- 635.9 g/mol
- Monoisotopic mass
- 631.74691
Names & identifiers
- Preferred name
- 2-[Bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid
- IUPAC
- 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid
Names & synonyms
28818-25-92-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acidDTXSID90285147
Database identifiers
- CAS
28818-25-9- PubChem CID
- 237295
- DTXSID
DTXSID90285147
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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