Basic information
- Standard SMILES
COC(=O)COc1ccc(OCc2cc(Br)cc(Br)c2)cc1C- InChIKey
PKGVICUHXQUJQB-UHFFFAOYSA-N- Molecular formula
- C17H16Br2O4
- Average molar mass
- 444.1 g/mol
Names & identifiers
- Preferred name
- [4-(3,5-Dibromo-benzyloxy)-2-methyl-phenoxy]-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[(3,5-dibromophenyl)methoxy]-2-methylphenoxy]acetate
Names & synonyms
SCHEMBL3234501PKGVICUHXQUJQB-UHFFFAOYSA-N[4-(3,5-Dibromo-benzyloxy)-2-methyl-phenoxy]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 59007639
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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