ETHANONE, 1-(1-BUTYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-
Basic information
- CAS
95454-85-6- Standard SMILES
CCCCc1c(C(C)=O)oc2cc([N+](=O)[O-])c3ccccc3c12- InChIKey
PGJHQZPABDFDGL-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- ETHANONE, 1-(1-BUTYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-
- IUPAC
- 1-(1-butyl-5-nitrobenzo[e][1]benzofuran-2-yl)ethanone
Names & synonyms
ETHANONE, 1-(1-BUTYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-95454-85-6R 7430BRN 55989411-(1-Butyl-5-nitronaphtho(2,1-b)furan-2-yl)ethanoneDTXSID302418431-(1-Butyl-5-nitronaphtho[2,1-b]furan-2-yl)ethan-1-one
Database identifiers
- CAS
95454-85-6- PubChem CID
- 56903
- DTXSID
DTXSID30241843
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
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Related reactions
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Compound notes
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