2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole
Basic information
- CAS
125372-44-3- Standard SMILES
Cc1ccc(C)n1-c1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1- InChIKey
UDTSTDCAZAYYDQ-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole
- IUPAC
- 2,5-dimethyl-1-(2-nitrobenzo[e][1]benzofuran-7-yl)pyrrole
Names & synonyms
125372-44-32,5-Dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-1H-pyrrole1H-Pyrrole, 2,5-dimethyl-1-(2-nitronaphtho(2,1-b)furan-7-yl)-2,5-Dimethyl-1-(2-nitronaphtho[2,1-b]furan-7-yl)-1H-pyrroleDTXSID20154751
Database identifiers
- CAS
125372-44-3- PubChem CID
- 147885
- DTXSID
DTXSID20154751
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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