Basic information
- Standard SMILES
Cc1cc(Br)c(OCC=Cc2ccccc2)c(I)c1- InChIKey
ZYOXQFTZCHMGHO-UHFFFAOYSA-N- Molecular formula
- C16H14BrIO
- Average molar mass
- 429.09 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3-iodo-5-methyl-2-(3-phenylallyloxy)-benzene
- IUPAC
- 1-bromo-3-iodo-5-methyl-2-(3-phenylprop-2-enoxy)benzene
Names & synonyms
SCHEMBL3297093ZYOXQFTZCHMGHO-UHFFFAOYSA-N1-bromo-3-iodo-5-methyl-2-(3-phenylallyloxy)-benzene
Database identifiers
- PubChem CID
- 68585603
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Linked notes
Loading…