Basic information
- CAS
684-95-7- Standard SMILES
O=C(O)C(=O)C(F)Br- InChIKey
WEBRLKZLLHKUNL-UHFFFAOYSA-N- Molecular formula
- C3H2BrFO3
- Average molar mass
- 184.95 g/mol
- Monoisotopic mass
- 183.91713
Names & identifiers
- Preferred name
- 3-Bromo-3-fluoro-2-oxopropanoic acid
- IUPAC
- 3-bromo-3-fluoro-2-oxopropanoic acid
Names & synonyms
3-Bromo-3-fluoro-2-oxopropanoic acid684-95-7DTXSID80797365
Database identifiers
- CAS
684-95-7- PubChem CID
- 71374591
- DTXSID
DTXSID80797365
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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