Basic information
- CAS
24172-11-0- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1- InChIKey
VTANUMLXGMWBOI-UHFFFAOYSA-N- Molecular formula
- C14H8N2O5
- Average molar mass
- 284.22 g/mol
- Monoisotopic mass
- 284.04332136
Names & identifiers
- Preferred name
- 5-Nitroquinolin-8-yl furan-2-carboxylate
- IUPAC
- (5-nitroquinolin-8-yl) furan-2-carboxylate
Names & synonyms
SCHEMBL9827402DTXSID2012294935-Nitroquinolin-8-yl furan-2-carboxylate2-Furancarboxylic acid, 5-nitro-8-quinolinyl ester24172-11-0
Database identifiers
- CAS
24172-11-0- PubChem CID
- 67936331
- DTXSID
DTXSID201229493
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…