1-[(4-Chlorophenyl)methyl]-3-(2-nitroethenyl)indole
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Basic information
- CAS
151409-86-8- Standard SMILES
O=[N+]([O-])C=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12- InChIKey
XTVWWLOLKMTJML-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.06655534
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)methyl]-3-(2-nitroethenyl)indole
- IUPAC
- 1-[(4-chlorophenyl)methyl]-3-(2-nitroethenyl)indole
Names & synonyms
1-[(4-chlorophenyl)methyl]-3-(2-nitroethenyl)indoleSCHEMBL8758340XTVWWLOLKMTJML-UHFFFAOYSA-NDTXSID701204660151409-86-81-(4-Chlorobenzyl)-3-(2-nitrovinyl)indoleQ271861281-[(4-Chlorophenyl)methyl]-3-(2-nitroethenyl)-1H-indole
Database identifiers
- CAS
151409-86-8- PubChem CID
- 896590
- DTXSID
DTXSID701204660
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
3 records
Compound notes
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