Basic information
- CAS
171347-50-5- Standard SMILES
CCC(Oc1ccc(Br)cc1C=O)C(=O)O- InChIKey
UGUWGDGPGUWZQO-UHFFFAOYSA-N- Molecular formula
- C11H11BrO4
- Average molar mass
- 287.11 g/mol
- Monoisotopic mass
- 285.98407
Names & identifiers
- Preferred name
- 2-(4-Bromo-2-formylphenoxy)butanoic acid
- IUPAC
- 2-(4-bromo-2-formylphenoxy)butanoic acid
Names & synonyms
2-(4-bromo-2-formylphenoxy)butanoic acid171347-50-5RefChem:251934SCHEMBL2882636DTXSID901277148AKOS013989597
Database identifiers
- CAS
171347-50-5- PubChem CID
- 22057791
- DTXSID
DTXSID901277148
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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