Basic information
- CAS
95454-84-5- Standard SMILES
CCc1c(C(C)=O)oc2cc([N+](=O)[O-])c3ccccc3c12- InChIKey
AFWSHZHNLURIQI-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- ETHANONE, 1-(1-ETHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-
- IUPAC
- 1-(1-ethyl-5-nitrobenzo[e][1]benzofuran-2-yl)ethanone
Names & synonyms
ETHANONE, 1-(1-ETHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-95454-84-5R 7428BRN 55927001-(1-Ethyl-5-nitronaphtho(2,1-b)furan-2-yl)ethanoneDTXSID702418421-(1-Ethyl-5-nitronaphtho[2,1-b]furan-2-yl)ethan-1-one
Database identifiers
- CAS
95454-84-5- PubChem CID
- 56902
- DTXSID
DTXSID70241842
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…