Basic information
- CAS
215122-43-3- Standard SMILES
O=C(O)C1=Cc2cc([N+](=O)[O-])ccc2OC1C(F)(F)F- InChIKey
GZVGBJIOQBOCCF-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO5
- Average molar mass
- 289.16 g/mol
- Monoisotopic mass
- 289.01980678
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-(trifluoromethyl)-
- IUPAC
- 6-nitro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Names & synonyms
215122-43-36-nitro-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-(trifluoromethyl)-SCHEMBL2736423DTXSID10432878GZVGBJIOQBOCCF-UHFFFAOYSA-NEN300-3299826-nitro-2-(trifluoromethyl)-2H-chromene-3-carboxylicAcid6-Nitro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid
Database identifiers
- CAS
215122-43-3- PubChem CID
- 9922014
- DTXSID
DTXSID10432878
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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