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1-Fluoro-2-methoxy-5-methyl-3-nitrobenzene

HCID 57575876
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(F)cc(C)cc1[N+](=O)[O-]
InChIKey
JRWSBCXFFPZMRL-UHFFFAOYSA-N
Molecular formula
C8H8FNO3
Average molar mass
185.15 g/mol

Names & identifiers

Preferred name
1-Fluoro-2-methoxy-5-methyl-3-nitrobenzene
IUPAC
1-fluoro-2-methoxy-5-methyl-3-nitrobenzene

Names & synonyms

1-Fluoro-2-methoxy-5-methyl-3-nitrobenzene708-04-3MFCD22053532Benzene, 1-fluoro-2-methoxy-5-methyl-3-nitro-2-Fluoro-4-methyl-6-nitroanisoleSCHEMBL3292527JRWSBCXFFPZMRL-UHFFFAOYSA-NAKOS022186983AS-49986SY121171CS-01533741-fluoro-2-methoxy-5-methyl-3-nitro-benzene
Show more names
O10403F450938

Database identifiers

PubChem CID
57575876

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
194

Related reactions

4 records
New reaction record
HRID 17285 reaction equation
HRID 17285As productuspto-grants-2010_06
HRID 17286 reaction equation
HRID 17286As reactantuspto-grants-2010_06
HRID 691569 reaction equation
HRID 691569As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1564251 reaction equation
HRID 1564251As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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