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Compound
Ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
HCID
77257566
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)c1cn(C2CC2F)c2c(C)c(F)cc([N+](=O)[O-])c2c1=O
InChIKey
CFMWUQWAKLQSRX-UHFFFAOYSA-N
Molecular formula
C16H14F2N2O5
Average molar mass
352.29 g/mol
Names & identifiers
Preferred name
Ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
IUPAC
ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
Database identifiers
PubChem CID
77257566
Properties
Computed structural properties
XLogP
3
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
635
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
816344
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1139756
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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