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1-Dimethoxymethyl-5-fluoro-2-methoxy-4-nitro-benzene

HCID 67426673
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc([N+](=O)[O-])c(F)cc1C(OC)OC
InChIKey
MYUHRMPFLJPKQV-UHFFFAOYSA-N
Molecular formula
C10H12FNO5
Average molar mass
245.2 g/mol
Monoisotopic mass
245.06995065

Names & identifiers

Preferred name
1-Dimethoxymethyl-5-fluoro-2-methoxy-4-nitro-benzene
IUPAC
1-(dimethoxymethyl)-5-fluoro-2-methoxy-4-nitrobenzene

Names & synonyms

SCHEMBL2489247MYUHRMPFLJPKQV-UHFFFAOYSA-N1-dimethoxymethyl-5-fluoro-2-methoxy-4-nitro-benzene

Database identifiers

PubChem CID
67426673

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
73.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
256

Related reactions

4 records
New reaction record
HRID 90821 reaction equation
HRID 90821As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1563498 reaction equation
HRID 1563498As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1667784 reaction equation
HRID 1667784As productuspto-grants-2011_10
HRID 1667785 reaction equation
HRID 1667785As reactantuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes