Basic information
- Standard SMILES
COC(=O)c1cc(Br)c(OC)c(Br)c1- InChIKey
OHKXYZHQCIFDKB-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O3
- Average molar mass
- 323.97 g/mol
Names & identifiers
- Preferred name
- Methyl 3,5-dibromo-4-methoxybenzoate
- IUPAC
- methyl 3,5-dibromo-4-methoxybenzoate
Names & synonyms
methyl 3,5-dibromo-4-methoxybenzoate22812-61-9MFCD115575713,5-Dibromo-4-methoxybenzoic acid methyl esterSCHEMBL3349066OHKXYZHQCIFDKB-UHFFFAOYSA-Nmethyl3,5-dibromo-4-methoxybenzoateAKOS002391633methyl 3,5-dibromo-4-methoxy-benzoateDA-07904
Database identifiers
- PubChem CID
- 21086155
- Nikkaji
- J728.233H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
5 records
Compound notes
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