Basic information
- CAS
101688-07-7- Standard SMILES
CC(=O)c1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1- InChIKey
KNPMKNLEQSHSEL-UHFFFAOYSA-N- Molecular formula
- C14H9NO4
- Average molar mass
- 255.22 g/mol
- Monoisotopic mass
- 255.05315777
Names & identifiers
- Preferred name
- ETHANONE, 1-(2-NITRONAPHTHO(2,1-b)FURAN-7-YL)-
- IUPAC
- 1-(2-nitrobenzo[e][1]benzofuran-7-yl)ethanone
- English name
- ETHANONE, 1-(2-NITRONAPHTHO(2,1-b)FURAN-7-YL)-
- Molecular weight
- 0
Names & synonyms
ETHANONE, 1-(2-NITRONAPHTHO(2,1-b)FURAN-7-YL)-101688-07-7R 75421-(2-nitrobenzo[e][1]benzofuran-7-yl)ethanone2-Nitro-8-acetylnaphtho(2,1-b)furanBRN 50624061-(2-Nitronaphtho(2,1-b)furan-7-yl)ethanoneKetone, methyl 2-nitronaphtho(2,1-b)furan-7-ylCHEMBL269746DTXSID501441201-(2-Nitronaphtho[2,1-b]furan-7-yl)ethan-1-one
Database identifiers
- CAS
101688-07-7- PubChem CID
- 58732
- DTXSID
DTXSID50144120- ChEMBL
CHEMBL269746
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 398.45 °C · 398.45°C (rough estimate)
- Density
- 1.2797 · 1.2797 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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