Basic information
- Standard SMILES
Cn1cc(C=O)cc1C(=O)c1ccc(Cl)cc1- InChIKey
TUZGKJSRHYVECX-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chlorobenzoyl)-1-methyl-1H-pyrrole-3-carboxaldehyde
- IUPAC
- 5-(4-chlorobenzoyl)-1-methylpyrrole-3-carbaldehyde
Names & synonyms
SCHEMBL5220639TUZGKJSRHYVECX-UHFFFAOYSA-N5-(4-Chlorobenzoyl)-1-methyl-1H-pyrrole-3-carboxaldehyde
Database identifiers
- PubChem CID
- 22481052
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
4 records
Compound notes
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