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Basic information
- CAS
111492-63-8- Standard SMILES
Cl.O=C(Cl)[C@@H]1CCCN1- InChIKey
AKOFNXCKOBQSCJ-WCCKRBBISA-N- Molecular formula
- C5H9Cl2NO
- Average molar mass
- 170.03 g/mol
Names & identifiers
- Preferred name
- (S)-pyrrolidine-2-carbonyl chloride hydrochloride
- IUPAC
- (2S)-pyrrolidine-2-carbonyl chloride;hydrochloride
Names & synonyms
Vildagliptin Impurity 33(S)-pyrrolidine-2-carbonyl chloride hydrochlorideSCHEMBL1014483AKOFNXCKOBQSCJ-WCCKRBBISA-N
Database identifiers
- CAS
111492-63-8- PubChem CID
- 12378857
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Related reactions
2 records
Compound notes
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