4-Cyclobutyl-2-fluoro-1-nitrobenzene

HCID 59565208

Notes Reactions

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(C2CCC2)cc1F
InChIKey: OEMNMFYAGUPPRG-UHFFFAOYSA-N
Molecular formula: C10H10FNO2
Average molar mass: 195.19 g/mol
Monoisotopic mass: 195.06955672

Names & identifiers

Preferred name: 4-Cyclobutyl-2-fluoro-1-nitrobenzene
IUPAC: 4-cyclobutyl-2-fluoro-1-nitrobenzene

Names & synonyms

4-cyclobutyl-2-fluoro-1-nitrobenzene1168102-58-6SCHEMBL1970805SCHEMBL296537384-Cyclobutyl-2-fluoronitrobenzeneOEMNMFYAGUPPRG-UHFFFAOYSA-N4-cyclobutyl-2-fluoro-nitrobenzeneAKOS0407676914-cyclobutyl-2-fluoro-1-nitro-benzeneAT45893DB-195707

Database identifiers

PubChem CID: 59565208

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Related reactions

4 records

New reaction record

HRID 289847As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1538614As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2067029As productuspto-grants-2012_10

HRID 2067030As reactantuspto-grants-2012_10

Compound notes

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