Basic information
- Standard SMILES
O=C(O)C1=CC=C2C1=CC(C(=O)O)N2Cc1ccc(Cl)c(Cl)c1- InChIKey
BAPRSWPFRCTXCQ-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO4
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0065132
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorobenzyl)cyclopenta[b]pyrrole-2,4-dicarboxylic Acid
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-2H-cyclopenta[b]pyrrole-2,4-dicarboxylic acid
Names & synonyms
SCHEMBL7960913BAPRSWPFRCTXCQ-UHFFFAOYSA-N1-(3,4-Dichlorobenzyl)cyclopenta[b]pyrrole-2,4-dicarboxylic Acid
Database identifiers
- PubChem CID
- 21702186
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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