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Basic information
- CAS
62559-51-7- Standard SMILES
O=C(O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1- InChIKey
ZHVCKMSAEWCLOO-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO3
- Average molar mass
- 288.12 g/mol
- Monoisotopic mass
- 287.0115986
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorobenzoyl)pyrrolidine-2-carboxylic acid
- IUPAC
- 1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
Names & synonyms
1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid62559-51-7DTXSID00318617RefChem:223954DTXCID902697401-(3,4-Dichlorobenzoyl)prolineNSC333197Oprea1_462810SCHEMBL10658071ZHVCKMSAEWCLOO-UHFFFAOYSA-N1-(3,4-Dichlorobenzoyl)proline #AKOS000132966
Show more names
AKOS016885126NSC-333197EN300-35773AG-205/373860291-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylicacidZ85891543
Database identifiers
- CAS
62559-51-7- PubChem CID
- 333136
- DTXSID
DTXSID00318617
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
1 records
Compound notes
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