Basic information
- CAS
90841-60-4- Standard SMILES
CCc1ccc(OCC(=O)O)c(Br)c1- InChIKey
AWXJDESUOGJGQO-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 2-(2-Bromo-4-ethylphenoxy)acetic acid
- IUPAC
- 2-(2-bromo-4-ethylphenoxy)acetic acid
- English name
- 2-(2-BROMO-4-ETHYLPHENOXY)ACETIC ACID
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
2-(2-bromo-4-ethylphenoxy)acetic acid90841-60-4(2-bromo-4-ethylphenoxy)acetic acidDTXSID40351189SBB043615STK007999AKOS000274103ST035636CS-0358514SR-01000266260SR-01000266260-1Z57233667
Show more names
(4-ethyl-2-bromo-phenoxy)-acetic acidAcetic acid, 2-(2-bromo-4-ethylphenoxy)-
Database identifiers
- CAS
90841-60-4- PubChem CID
- 693155
- DTXSID
DTXSID40351189
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 88.5 °C · 88.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 362.6 · 362.6±27.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
ARONIS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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