2-chloro-5-methoxy-6-methyl-4-nitro-1H-indole-3-carbaldehyde
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Basic information
- CAS
73355-48-3- Standard SMILES
COc1c(C)cc2[nH]c(Cl)c(C=O)c2c1[N+](=O)[O-]- InChIKey
GKNBYQDOKIIBEJ-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O4
- Average molar mass
- 268.65 g/mol
- Monoisotopic mass
- 268.0250845
Names & identifiers
- Preferred name
- 2-chloro-5-methoxy-6-methyl-4-nitro-1H-indole-3-carbaldehyde
- IUPAC
- 2-chloro-5-methoxy-6-methyl-4-nitro-1H-indole-3-carbaldehyde
Names & synonyms
2-chloro-5-methoxy-6-methyl-4-nitro-1H-indole-3-carbaldehyde73355-48-3NSC308932DTXSID40316930NSC-308932DS-003995
Database identifiers
- CAS
73355-48-3- PubChem CID
- 328801
- DTXSID
DTXSID40316930
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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