4-Dimethoxymethyl-2-fluoro-1-nitrobenzene

HCID 54032292

Notes Reactions

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Basic information

Standard SMILES: COC(OC)c1ccc([N+](=O)[O-])c(F)c1
InChIKey: LGLJFTNRBXPVBV-UHFFFAOYSA-N
Molecular formula: C9H10FNO4
Average molar mass: 215.18 g/mol
Monoisotopic mass: 215.05938596

Names & identifiers

Preferred name: 4-Dimethoxymethyl-2-fluoro-1-nitrobenzene
IUPAC: 4-(dimethoxymethyl)-2-fluoro-1-nitrobenzene

Names & synonyms

SCHEMBL2490861SCHEMBL29465814LGLJFTNRBXPVBV-UHFFFAOYSA-N4-dimethoxymethyl-2-fluoro-1-nitrobenzene4-dimethoxymethyl-2-fluoro-1-nitro-benzene4-(dimethoxymethyl)-2-fluoro-1-nitro-benzene

Database identifiers

PubChem CID: 54032292

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Related reactions

20 records

New reaction record

HRID 97763As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98057As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149455As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152638As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 204002As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 668734As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 810271As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 940517As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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