1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde
Basic information
- CAS
90815-01-3- Standard SMILES
O=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12- InChIKey
NANCGWIQWABHDC-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0607417
Names & identifiers
- Preferred name
- 1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde
- IUPAC
- 1-[(3-chlorophenyl)methyl]indole-3-carbaldehyde
- English name
- 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE
- Molecular formula
- C16H12ClNO
- Molecular weight
- 269.73
Names & synonyms
1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde90815-01-31-[(3-chlorophenyl)methyl]indole-3-carbaldehyde1-[(3-chlorophenyl)methyl]-1H-indole-3-carbaldehydeMFCD034225051H-Indole-3-carboxaldehyde, 1-[(3-chlorophenyl)methyl]-SCHEMBL4361317CHEMBL1775049SCHEMBL28480612SCHEMBL28481258SCHEMBL30487285DTXSID30354523
Show more names
1-[(3-chlorophenyl)methyl]-1H-indole-3-carboxaldehyde1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde(SALTDATA: FREE)
ALBB-001447BBL015327NSC741908SBB020869STK347801AKOS000103409NSC 741908NSC-741908
Database identifiers
- CAS
90815-01-3- PubChem CID
- 775540
- DTXSID
DTXSID30354523- ChEMBL
CHEMBL1775049
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 465.5 · 465.5±30.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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