Basic information
- Standard SMILES
O=C(O)c1cc(I)c(OCc2cccc(Br)c2)c(I)c1- InChIKey
YCOOAFZJUHTAAL-UHFFFAOYSA-N- Molecular formula
- C14H9BrI2O3
- Average molar mass
- 558.93 g/mol
Names & identifiers
- Preferred name
- 3,5-Diiodo-4-(3-bromobenzyloxy)benzoic Acid
- IUPAC
- 4-[(3-bromophenyl)methoxy]-3,5-diiodobenzoic acid
Names & synonyms
SCHEMBL4271200YCOOAFZJUHTAAL-UHFFFAOYSA-N3,5-Diiodo-4-(3-bromobenzyloxy)benzoic Acid3,5-Diiodo-4-(3-bromo-benzyloxy)-benzoic Acid
Database identifiers
- PubChem CID
- 9937656
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
4 records
Compound notes
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