NAPHTHO(2,1-b)FURAN, 1-ETHYL-2-NITRO-
Basic information
- CAS
95454-86-7- Standard SMILES
CCc1c([N+](=O)[O-])oc2ccc3ccccc3c12- InChIKey
PBTGLHCVVQOAIP-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 1-ETHYL-2-NITRO-
- IUPAC
- 1-ethyl-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 1-ETHYL-2-NITRO-1-Ethyl-2-nitronaphtho(2,1-b)furan1-ethyl-2-nitronaphtho[2,1-b]furan95454-86-7R 7427BRN 5547297CHEMBL267852DTXSID90241844
Database identifiers
- CAS
95454-86-7- PubChem CID
- 56904
- DTXSID
DTXSID90241844- ChEMBL
CHEMBL267852- Nikkaji
- J548.001I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
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Related reactions
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Compound notes
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