Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-
Basic information
- CAS
651331-96-3- Standard SMILES
O=C(O)c1ccc(OCC(F)F)cc1O- InChIKey
PDABMVMZLWKORK-UHFFFAOYSA-N- Molecular formula
- C9H8F2O4
- Average molar mass
- 218.15 g/mol
- Monoisotopic mass
- 218.03906506
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-
- IUPAC
- 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
Names & synonyms
651331-96-34-(2,2-difluoroethoxy)-2-hydroxybenzoic acidBenzoic acid, 4-(2,2-difluoroethoxy)-2-hydroxy-SCHEMBL4411088DTXSID10437202PDABMVMZLWKORK-UHFFFAOYSA-N
Database identifiers
- CAS
651331-96-3- PubChem CID
- 10242483
- DTXSID
DTXSID10437202
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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