Basic information
- CAS
133636-94-9- Standard SMILES
COC(=O)c1cc(OC(=O)N2CCCC2)c(Cl)cc1Cl- InChIKey
BPQXNPHLLKUBTL-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2NO4
- Average molar mass
- 318.15 g/mol
- Monoisotopic mass
- 317.0221633
Names & identifiers
- Preferred name
- (2,4-Dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate
- IUPAC
- (2,4-dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate
Names & synonyms
133636-94-9(2,4-Dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate2,4-dichloro-5-(methoxycarbonyl)phenyl pyrrolidine-1-carboxylateSCHEMBL21062444DTXSID30158280
Database identifiers
- CAS
133636-94-9- PubChem CID
- 86407
- DTXSID
DTXSID30158280- Nikkaji
- J490.458C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
LogP3.95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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