Basic information
- Standard SMILES
COC(=O)Cc1cc(Br)c(Sc2ccc(OC)c(I)c2)c(Br)c1- InChIKey
ZTJJCLBAQZXWFR-UHFFFAOYSA-N- Molecular formula
- C16H13Br2IO3S
- Average molar mass
- 572.1 g/mol
Names & identifiers
- Preferred name
- Methyl 3,5-dibromo-4-(3-iodo-4-methoxyphenylthio)phenylacetate
- IUPAC
- methyl 2-[3,5-dibromo-4-(3-iodo-4-methoxyphenyl)sulfanylphenyl]acetate
Names & synonyms
SCHEMBL7351406ZTJJCLBAQZXWFR-UHFFFAOYSA-Nmethyl 3,5-dibromo-4-(3-iodo-4-methoxyphenylthio)phenylacetate
Database identifiers
- PubChem CID
- 19101415
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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