NAPHTHO(2,1-b)FURAN, 1-BUTYL-2-NITRO-
Basic information
- CAS
95454-87-8- Standard SMILES
CCCCc1c([N+](=O)[O-])oc2ccc3ccccc3c12- InChIKey
NEQZRASRDHGIAQ-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 1-BUTYL-2-NITRO-
- IUPAC
- 1-butyl-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 1-BUTYL-2-NITRO-1-Butyl-2-nitronaphtho(2,1-b)furan95454-87-81-BUTYL-2-NITRONAPHTHO[2,1-B]FURANR 7429BRN 55784411-N-Butyl-2-nitronaphtho(2,1-b)furanCHEMBL266762DTXSID50241845
Database identifiers
- CAS
95454-87-8- PubChem CID
- 56905
- DTXSID
DTXSID50241845- ChEMBL
CHEMBL266762
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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