7-Methoxy-8-nitro-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Basic information
- CAS
342795-09-9- Standard SMILES
COc1ccc2c(=O)cc(C(F)(F)F)oc2c1[N+](=O)[O-]- InChIKey
QEFGNPXTTSKMBK-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO5
- Average molar mass
- 289.16 g/mol
- Monoisotopic mass
- 289.01980678
Names & identifiers
- Preferred name
- 7-Methoxy-8-nitro-2-(trifluoromethyl)-4H-1-benzopyran-4-one
- IUPAC
- 7-methoxy-8-nitro-2-(trifluoromethyl)chromen-4-one
Names & synonyms
342795-09-97-Methoxy-8-nitro-2-(trifluoromethyl)-4H-1-benzopyran-4-oneRefChem:3109907-methoxy-8-nitro-2-(trifluoromethyl)-4H-chromen-4-oneDTXSID401188550AKOS0016594267-methoxy-8-nitro-2-trifluoromethylchromoneEU-0009146UNM000000601201VU0061043-1SR-01000472142SR-01000472142-1
Database identifiers
- CAS
342795-09-9- PubChem CID
- 3755019
- DTXSID
DTXSID401188550
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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