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1-Benzyl-2-fluoro-3-nitro-benzene

HCID 90037814
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=[N+]([O-])c1cccc(Cc2ccccc2)c1F
InChIKey
QUTILIHOEOJSCD-UHFFFAOYSA-N
Molecular formula
C13H10FNO2
Average molar mass
231.22 g/mol

Names & identifiers

Preferred name
1-Benzyl-2-fluoro-3-nitro-benzene
IUPAC
1-benzyl-2-fluoro-3-nitrobenzene

Names & synonyms

SCHEMBL15565712QUTILIHOEOJSCD-UHFFFAOYSA-N1-Benzyl-2-fluoro-3-nitro-benzene

Database identifiers

PubChem CID
90037814

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
261

Related reactions

1 records
New reaction record
HRID 1055384 reaction equation
HRID 1055384As productuspto-grants-2016_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes