Basic information
- CAS
95454-90-3- Standard SMILES
CCCCCCCCCCCc1c([N+](=O)[O-])oc2ccc3ccccc3c12- InChIKey
ULVHMBBGWIBFEB-UHFFFAOYSA-N- Molecular formula
- C23H29NO3
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.21474379
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 2-NITRO-1-UNDECYL-
- IUPAC
- 2-nitro-1-undecylbenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 2-NITRO-1-UNDECYL-2-Nitro-1-undecylnaphtho(2,1-b)furan95454-90-32-Nitro-1-undecylnaphtho[2,1-b]furanR 7419BRN 5618033DTXSID10241846
Database identifiers
- CAS
95454-90-3- PubChem CID
- 56906
- DTXSID
DTXSID10241846
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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