1-Ethoxy-5-fluoro-4-methyl-2-nitrobenzene

HCID 59452883

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOc1cc(F)c(C)cc1[N+](=O)[O-]
InChIKey: QDFHNEHOVQXVBF-UHFFFAOYSA-N
Molecular formula: C9H10FNO3
Average molar mass: 199.18 g/mol

Names & identifiers

Preferred name: 1-Ethoxy-5-fluoro-4-methyl-2-nitrobenzene
IUPAC: 1-ethoxy-5-fluoro-4-methyl-2-nitrobenzene

Names & synonyms

1-ethoxy-5-fluoro-4-methyl-2-nitrobenzene1089283-14-6SCHEMBL310334QDFHNEHOVQXVBF-UHFFFAOYSA-NDB-0979271-(ethyloxy)-5-fluoro-4-methyl-2-nitrobenzene1-methyl-2-fluoro-4-(ethyloxy)-5-nitrobenzene

Database identifiers

PubChem CID: 59452883

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Related reactions

6 records

New reaction record

HRID 314213As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 419621As productuspto-grants-2012_01

HRID 419627As reactantuspto-grants-2012_01

HRID 419666As reactantuspto-grants-2012_01

HRID 1547411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2143748As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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