Basic information
- CAS
1227499-12-8- Standard SMILES
O=C(O)Cc1cc(F)ncc1F- InChIKey
WIMRKTLKPPHJOX-UHFFFAOYSA-N- Molecular formula
- C7H5F2NO2
- Average molar mass
- 173.12 g/mol
- Monoisotopic mass
- 173.02883473
Names & identifiers
- Preferred name
- 2-(2,5-Difluoropyridin-4-yl)acetic acid
- IUPAC
- 2-(2,5-difluoro-4-pyridinyl)acetic acid
Names & synonyms
1227499-12-8DTXSID4012964162,5-Difluoro-4-pyridineacetic acid(2,5-Difluoropyridin-4-yl)acetic acid2-(2,5-Difluoropyridin-4-yl)acetic acid
Database identifiers
- CAS
1227499-12-8- PubChem CID
- 84654530
- DTXSID
DTXSID401296416
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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