2-(4-Chloro-2,5-difluorophenoxy)acetic acid
Basic information
- CAS
7590-49-0- Standard SMILES
O=C(O)COc1cc(F)c(Cl)cc1F- InChIKey
ATNYWIKWLRMZEX-UHFFFAOYSA-N- Molecular formula
- C8H5ClF2O3
- Average molar mass
- 222.57 g/mol
- Monoisotopic mass
- 221.989528
Names & identifiers
- Preferred name
- 2-(4-Chloro-2,5-difluorophenoxy)acetic acid
- IUPAC
- 2-(4-chloro-2,5-difluorophenoxy)acetic acid
Names & synonyms
7590-49-02-(4-chloro-2,5-difluorophenoxy)acetic acidNSC190624DTXSID50307278NSC-190624(4-chloro-2,5-difluorophenoxy)acetic acid
Database identifiers
- CAS
7590-49-0- PubChem CID
- 302883
- DTXSID
DTXSID50307278
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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