Basic information
- CAS
133636-98-3- Standard SMILES
CC(C)OC(=O)c1cc(OC(=O)N2CCCC2)c(F)cc1Cl- InChIKey
ZNZSIWMFOKUCMG-UHFFFAOYSA-N- Molecular formula
- C15H17ClFNO4
- Average molar mass
- 329.75 g/mol
- Monoisotopic mass
- 329.0830139
Names & identifiers
- Preferred name
- (4-Chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)pyrrolidine-1-carboxylate
- IUPAC
- (4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate
Names & synonyms
(4-Chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)pyrrolidine-1-carboxylate133636-98-3SCHEMBL19717910DTXSID101582834-Chloro-2-fluoro-5-{[(propan-2-yl)oxy]carbonyl}phenyl pyrrolidine-1-carboxylate
Database identifiers
- CAS
133636-98-3- PubChem CID
- 86409
- DTXSID
DTXSID10158283- Nikkaji
- J490.453B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
LogP4.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…