2-methyl-1-(4-nitrobenzyl)-1H-indole-3-carbaldehyde
Basic information
- CAS
591210-36-5- Standard SMILES
Cc1c(C=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1- InChIKey
GQUPKEBWAGURMU-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
Names & identifiers
- Preferred name
- 2-methyl-1-(4-nitrobenzyl)-1H-indole-3-carbaldehyde
- IUPAC
- 2-methyl-1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
- English name
- 1H-Indole-3-carboxaldehyde,2-methyl-1-[(4-nitrophenyl)methyl]-(9CI)
- Molecular formula
- C17H14N2O3
- Molecular weight
- 294.3
Names & synonyms
591210-36-52-methyl-1-(4-nitrobenzyl)-1H-indole-3-carbaldehyde2-methyl-1-[(4-nitrophenyl)methyl]indole-3-carbaldehydeMFCD026293832-methyl-1-[(4-nitrophenyl)methyl]-1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde,2-methyl-1-[(4-nitrophenyl)methyl]-(9CI)MLS000680864CHEMBL1561425HMS2562C08BBL029707STL380782AKOS000289108
Show more names
1H-Indole-3-carboxaldehyde, 2-methyl-1-[(4-nitrophenyl)methyl]-2-methyl-1-(4-nitrobenzyl)-1H-indole-3-carbaldehyde(SALTDATA: FREE)
SMR000269530VS-09384DB-240248CS-0317503ST51017893SR-01000237269SR-01000237269-1
Database identifiers
- CAS
591210-36-5- ChEMBL
CHEMBL1561425
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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