1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene
Basic information
- Standard SMILES
O=[N+]([O-])C=Cc1ccc(C(F)(F)F)cc1- InChIKey
CATQYSSYYQMLHV-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO2
- Average molar mass
- 217.14 g/mol
Names & identifiers
- Preferred name
- 1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene
- IUPAC
- 1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
Names & synonyms
1-(2-Nitro-vinyl)-4-trifluoromethyl-benzene4-trifluoromethyl-beta-nitrostyreneSCHEMBL7941291-(2-nitrovinyl)-4-trifluoromethylbenzeneDB-079630DB-1157611-trifluoromethyl-4-(2-nitro-vinyl)-benzene
Database identifiers
- PubChem CID
- 688231
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
10 records
Compound notes
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