Basic information
- CAS
73219-90-6- Standard SMILES
COc1c(Br)cc(Br)c(OC)c1C(=O)O- InChIKey
BOHSCHORFQOYMV-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O4
- Average molar mass
- 339.96 g/mol
- Monoisotopic mass
- 337.87893294
Names & identifiers
- Preferred name
- 3,5-Dibromo-2,6-dimethoxybenzoic acid
- IUPAC
- 3,5-dibromo-2,6-dimethoxybenzoic acid
Names & synonyms
73219-90-63,5-dibromo-2,6-dimethoxybenzoic acid3,5-Dibromo-2,6-dimethoxy-benzoic acidBenzoic acid, 3,5-dibromo-2,6-dimethoxy-MFCD25966725SCHEMBL9334983DTXSID60574373BOHSCHORFQOYMV-UHFFFAOYSA-NAS-6221F475626
Database identifiers
- CAS
73219-90-6- PubChem CID
- 15565734
- DTXSID
DTXSID60574373
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
1 records
Compound notes
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