3-fluoro-N-(4-methoxybutyl)-2-nitroaniline

HCID 58355413

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCCCCNc1cccc(F)c1[N+](=O)[O-]
InChIKey: QAIZTNWDDGCBJJ-UHFFFAOYSA-N
Molecular formula: C11H15FN2O3
Average molar mass: 242.25 g/mol
Monoisotopic mass: 242.10667051

Names & identifiers

Preferred name: 3-fluoro-N-(4-methoxybutyl)-2-nitroaniline
IUPAC: 3-fluoro-N-(4-methoxybutyl)-2-nitroaniline

Names & synonyms

SCHEMBL1421193QAIZTNWDDGCBJJ-UHFFFAOYSA-NAKOS0106574083-fluoro-N-(4-methoxybutyl)-2-nitroaniline

Database identifiers

PubChem CID: 58355413

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 67.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 235

Related reactions

10 records

New reaction record

HRID 285869As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1184130As productuspto-grants-2014_03

HRID 1184131As reactantuspto-grants-2014_03

HRID 1259951As productuspto-grants-2013_06

HRID 1259952As reactantuspto-grants-2013_06

HRID 1509457As productuspto-grants-2015_12

HRID 1509458As reactantuspto-grants-2015_12

HRID 1551469As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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