2-(4-Bromo-2,6-dimethylphenoxy)propanoic acid
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Basic information
- CAS
881590-57-4- Standard SMILES
Cc1cc(Br)cc(C)c1OC(C)C(=O)O- InChIKey
BBGLAOVVZCRLDO-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 2-(4-Bromo-2,6-dimethylphenoxy)propanoic acid
- IUPAC
- 2-(4-bromo-2,6-dimethylphenoxy)propanoic acid
- English name
- 2-(4-BROMO-2,6-DIMETHYLPHENOXY)PROPANOIC ACID
- Molecular formula
- C11H13BrO3
- Molecular weight
- 273.12
Names & synonyms
2-(4-bromo-2,6-dimethylphenoxy)propanoic acid881590-57-42-(4-bromo-2,6-dimethyl-phenoxy)propanoic AcidSBB079978STL065951AKOS000319436AKOS024144446NCGC00326293-01CS-0322137ST450471922-(4-bromo-2,6-dimethylphenoxy)propanoicacidAB01320977-02
Show more names
Propanoic acid, 2-(4-bromo-2,6-dimethylphenoxy)-
AN-329/43341935
Database identifiers
- CAS
881590-57-4- PubChem CID
- 4779150
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 360.6 · 360.6±37.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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