2-[Bis(5-methylfuran-2-YL)methyl]-5-(3-nitrophenyl)furan
Basic information
- CAS
330558-94-6- Standard SMILES
Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1- InChIKey
RNXCQVKQNXKMJK-UHFFFAOYSA-N- Molecular formula
- C21H17NO5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.11067264
Names & identifiers
- Preferred name
- 2-[Bis(5-methylfuran-2-YL)methyl]-5-(3-nitrophenyl)furan
- IUPAC
- 2-methyl-5-[(5-methylfuran-2-yl)-[5-(3-nitrophenyl)furan-2-yl]methyl]furan
Names & synonyms
2,2'-{[5-(3-Nitrophenyl)furan-2-yl]methylene}bis(5-methylfuran)330558-94-6DTXSID601174608STK874004AKOS0016590512,2'-{[5-(3-nitrophenyl)furan-2-yl]methanediyl}bis(5-methylfuran)5,5'-((5-(3-nitrophenyl)furan-2-yl)methylene)bis(2-methylfuran)2,2a(2)-[[5-(3-Nitrophenyl)-2-furanyl]methylene]bis[5-methylfuran]
Database identifiers
- CAS
330558-94-6- PubChem CID
- 2753262
- DTXSID
DTXSID601174608
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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