Basic information
- CAS
124438-21-7- Standard SMILES
CCOC(=O)N1CCC(C(=O)Cl)C1- InChIKey
KQJZIMAKSPTAFQ-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.0505709
Names & identifiers
- Preferred name
- Ethyl 3-(chlorocarbonyl)pyrrolidine-1-carboxylate
- IUPAC
- ethyl 3-carbonochloridoylpyrrolidine-1-carboxylate
- English name
- 1-Pyrrolidinecarboxylic acid, 3-(chlorocarbonyl)-, ethyl ester (9CI)
- Molecular formula
- C8H12ClNO3
- Molecular weight
- 205.64
Names & synonyms
124438-21-7Ethyl 3-(chlorocarbonyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-(chlorocarbonyl)-, ethyl ester (9CI)ethyl 3-carbonochloridoylpyrrolidine-1-carboxylateSCHEMBL3055942DTXSID90566620KQJZIMAKSPTAFQ-UHFFFAOYSA-Nethyl 3-(chlorocarbonyl)-1-pyrrolidinecarboxylate1-Pyrrolidinecarboxylic acid, 3-(chlorocarbonyl)-, ethyl ester
Database identifiers
- CAS
124438-21-7- PubChem CID
- 14989184
- DTXSID
DTXSID90566620
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
8 records
Compound notes
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