rac-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans
Basic information
- CAS
1820569-50-3- Standard SMILES
O=C(O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1- InChIKey
XRVPPNOXFATEAL-DTWKUNHWSA-N- Molecular formula
- C11H10F2O3
- Average molar mass
- 228.19 g/mol
- Monoisotopic mass
- 228.0598005
Names & identifiers
- Preferred name
- rac-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans
- IUPAC
- trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
- English name
- trans-2-(4-(difluoromethoxy)phenyl)cyclopropane-1-carboxylic acid
- Molecular formula
- C11H10F2O3
- Molecular weight
- 228.19
Names & synonyms
1820569-50-31807937-62-7rac-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans(1R,2R)-2-(4-(Difluoromethoxy)phenyl)cyclopropane-1-carboxylic acidrac-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acidMFCD28246336(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acidstarbld0020053SCHEMBL16232158XRVPPNOXFATEAL-DTWKUNHWSA-NAKOS034811361Rel-(1R,2R)-2-(4-(difluoromethoxy)phenyl)cyclopropane-1-carboxylic acid
Show more names
trans-2-(4-(difluoromethoxy)phenyl)cyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-[4-(difluoromethoxy)phenyl]-, (1R,2R)-
SY362660EN300-198290G79374Z2309887932trans-2-[4-(Difluoromethoxy)phenyl]cyclopropanecarboxylic Acid(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropanecarboxylic acid
Database identifiers
- CAS
1820569-50-3- PubChem CID
- 51888124
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 351.4 · 351.4±42.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…