Basic information
- Standard SMILES
CN(C)c1c(Cl)cc(C=O)cc1C(C)(C)C- InChIKey
WOVJOGUVMMHVHX-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 3-Tert-butyl-5-chloro-4-dimethylaminobenzaldehyde
- IUPAC
- 3-tert-butyl-5-chloro-4-(dimethylamino)benzaldehyde
Names & synonyms
SCHEMBL2101039WOVJOGUVMMHVHX-UHFFFAOYSA-N3-tert-butyl-5-chloro-4-dimethylaminobenzaldehyde
Database identifiers
- PubChem CID
- 86646571
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
4 records
Compound notes
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