Methyl 2,6-dibromo-3-methoxybenzoate
Basic information
- CAS
2383066-83-7- Standard SMILES
COC(=O)c1c(Br)ccc(OC)c1Br- InChIKey
NNRRKNHXFLFHQP-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O3
- Average molar mass
- 323.97 g/mol
- Monoisotopic mass
- 321.88402
Names & identifiers
- Preferred name
- Methyl 2,6-dibromo-3-methoxybenzoate
- IUPAC
- methyl 2,6-dibromo-3-methoxybenzoate
- English name
- Methyl 2,6-dibromo-3-methoxybenzoate
- Molecular formula
- C9H8Br2O3
- Molecular weight
- 323.97
Names & synonyms
Methyl 2,6-dibromo-3-methoxybenzoate2383066-83-7Methyl2,6-dibromo-3-methoxy-benzoateMFCD32707071Methyl 2,6-dibromo-3-methoxy-benzoateAKOS040768525CS-0191492E95828Benzoic acid, 2,6-dibromo-3-methoxy-, methyl ester
Database identifiers
- CAS
2383066-83-7- PubChem CID
- 155293782
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
- 210
Physicochemical properties
- Boiling point
- 330 · 330.0±37.0 °C(Predicted)
- Density
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- HS Code
- 2920907090 · 2920907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2920907090
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Related reactions
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Compound notes
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