6-chloro-3-[(E)-2-nitrovinyl]-5-(trifluoromethyl)-1H-indole
Basic information
- Standard SMILES
O=[N+]([O-])/C=C/c1c[nH]c2cc(Cl)c(C(F)(F)F)cc12- InChIKey
RUMFTSYDCGZGAY-OWOJBTEDSA-N- Molecular formula
- C11H6ClF3N2O2
- Average molar mass
- 290.62 g/mol
Names & identifiers
- Preferred name
- 6-chloro-3-[(E)-2-nitrovinyl]-5-(trifluoromethyl)-1H-indole
- IUPAC
- 6-chloro-3-[(E)-2-nitroethenyl]-5-(trifluoromethyl)-1H-indole
Names & synonyms
6-chloro-3-[(E)-2-nitrovinyl]-5-(trifluoromethyl)-1H-indoleSCHEMBL2272127
Database identifiers
- PubChem CID
- 23149986
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Related reactions
1 records
Compound notes
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