Basic information
- Standard SMILES
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1- InChIKey
SDXHEAFPPJDHMP-XCVCLJGOSA-N- Molecular formula
- C15H8F3N3O4
- Average molar mass
- 351.24 g/mol
Names & identifiers
- Preferred name
- (Z)-3-(3,4-dihydroxy-5-nitrophenyl)-2-(6-(trifluoromethyl)pyridin-3-yl)acrylonitrile
- IUPAC
- (Z)-3-(3,4-dihydroxy-5-nitrophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enenitrile
Names & synonyms
(Z)-3-(3,4-dihydroxy-5-nitrophenyl)-2-(6-(trifluoromethyl)pyridin-3-yl)acrylonitrileSCHEMBL3576558
Database identifiers
- PubChem CID
- 68699261
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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