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1-(2-fluoro-4-nitrophenyl)-4-methyl-1H-imidazole

HCID 21876596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cn(-c2ccc([N+](=O)[O-])cc2F)cn1
InChIKey
SQFOHXFPQHTJRN-UHFFFAOYSA-N
Molecular formula
C10H8FN3O2
Average molar mass
221.19 g/mol

Names & identifiers

Preferred name
1-(2-fluoro-4-nitrophenyl)-4-methyl-1H-imidazole
IUPAC
1-(2-fluoro-4-nitrophenyl)-4-methylimidazole

Names & synonyms

1-(2-fluoro-4-nitrophenyl)-4-methyl-1H-imidazole252337-29-43-Fluoro-4-(4-methyl-imidazol-1-yl)nitrobenzeneSCHEMBL1617550SQFOHXFPQHTJRN-UHFFFAOYSA-NAKOS030524557AB90319DB-2942593-Fluoro-4-(4-methylimidazol-1-yl)nitrobenzene3-Fluoro4-(4-methyl-imidazol-1-yl)nitrobenzene1-(2-Fluoro-4-nitro-phenyl)-4-methyl-1H-imidazole

Database identifiers

PubChem CID
21876596

Properties

Computed structural properties

XLogP
2
Topological polar surface area
63.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
271

Related reactions

13 records
New reaction record
HRID 8155 reaction equation
HRID 8155As productuspto-grants-2006_08
HRID 8156 reaction equation
HRID 8156As reactantuspto-grants-2006_08
HRID 723773 reaction equation
HRID 723773As productuspto-grants-2006_11
HRID 723774 reaction equation
HRID 723774As reactantuspto-grants-2006_11
HRID 1167488 reaction equation
HRID 1167488As reactantuspto-grants-2003_09
HRID 1547234 reaction equation
HRID 1547234As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1563195 reaction equation
HRID 1563195As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1565999 reaction equation
HRID 1565999As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes

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