5-Bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid
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Basic information
- CAS
923852-07-7- Standard SMILES
COc1cc(Br)cc(C(=O)O)c1OCc1ccncc1- InChIKey
RZISBENJZZKLMB-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO4
- Average molar mass
- 338.15 g/mol
- Monoisotopic mass
- 336.99497
Names & identifiers
- Preferred name
- 5-Bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid
- IUPAC
- 5-bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid
- English name
- 5-BROMO-3-METHOXY-2-(PYRIDIN-4-YLMETHOXY)BENZOIC ACID
- Molecular formula
- C14H12BrNO4
- Molecular weight
- 338.15
Names & synonyms
5-bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoic acid923852-07-75-Bromo-3-methoxy-2-[(pyridin-4-yl)methoxy]benzoic acid5-Bromo-3-methoxy-2-(pyridin-4-ylmethoxy)benzoicacidDTXSID50585514AKOS015998795CS-0302573EN300-868135-bromo-3-methoxy-2-(4-pyridylmethoxy)benzoic acidBenzoic acid, 5-bromo-3-methoxy-2-(4-pyridinylmethoxy)-
Database identifiers
- CAS
923852-07-7- PubChem CID
- 16228366
- DTXSID
DTXSID50585514
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 482.8 · 482.8±45.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.85 · 2.85±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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