Basic information
- CAS
133636-96-1- Standard SMILES
CC(C)OC(=O)c1cc(OC(=O)N2CCCC2)c(Cl)cc1Cl- InChIKey
KUSDKVMYYMHWOK-UHFFFAOYSA-N- Molecular formula
- C15H17Cl2NO4
- Average molar mass
- 346.2 g/mol
- Monoisotopic mass
- 345.0534634
Names & identifiers
- Preferred name
- (2,4-Dichloro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate
- IUPAC
- (2,4-dichloro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate
Names & synonyms
133636-96-1(2,4-Dichloro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate2,4-DICHLORO-5-(ISOPROPOXYCARBONYL)PHENYL PYRROLIDINE-1-CARBOXYLATESCHEMBL29012719DTXSID501582822,4-Dichloro-5-{[(propan-2-yl)oxy]carbonyl}phenyl pyrrolidine-1-carboxylate
Database identifiers
- CAS
133636-96-1- PubChem CID
- 86408
- DTXSID
DTXSID50158282- Nikkaji
- J490.457E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
LogP4.67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…