Basic information
- CAS
1759-02-0- Standard SMILES
O=C(Oc1ccc(Cl)cc1)N1CCCC1- InChIKey
VFVFGAABTXYJGO-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- p-Chlorophenyl 1-pyrrolidinecarboxylate
- IUPAC
- (4-chlorophenyl) pyrrolidine-1-carboxylate
Names & synonyms
1759-02-01-Pyrrolidinecarboxylic acid, p-chlorophenyl esterp-Chlorophenyl 1-pyrrolidinecarboxylate4-chlorophenyl pyrrolidine-1-carboxylateSCHEMBL10974361DTXSID40170039
Database identifiers
- CAS
1759-02-0- PubChem CID
- 74474
- DTXSID
DTXSID40170039- Nikkaji
- J490.456G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
LogP3.38
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…