Methyl 4'-chloro-3'-fluoro[1,1'-biphenyl]-3-carboxylate
Basic information
- CAS
893734-88-8- Standard SMILES
COC(=O)c1cccc(-c2ccc(Cl)c(F)c2)c1- InChIKey
XQTMYIHBRMBZPA-UHFFFAOYSA-N- Molecular formula
- C14H10ClFO2
- Average molar mass
- 264.68 g/mol
- Monoisotopic mass
- 264.0353354
Names & identifiers
- Preferred name
- Methyl 4'-chloro-3'-fluoro[1,1'-biphenyl]-3-carboxylate
- IUPAC
- methyl 3-(4-chloro-3-fluorophenyl)benzoate
Names & synonyms
methyl 4'-chloro-3'-fluoro[1,1'-biphenyl]-3-carboxylateDTXSID301203872AKOS004113754893734-88-8Methyl 4a(2)-chloro-3a(2)-fluoro[1,1a(2)-biphenyl]-3-carboxylate
Database identifiers
- CAS
893734-88-8- PubChem CID
- 5097331
- DTXSID
DTXSID301203872
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…