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4-(4-Bromophenoxy)-2,5-dimethylnitrobenzene

HCID 68595356
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])c(C)cc1Oc1ccc(Br)cc1
InChIKey
KXUXGGHOIKZERV-UHFFFAOYSA-N
Molecular formula
C14H12BrNO3
Average molar mass
322.15 g/mol

Names & identifiers

Preferred name
4-(4-Bromophenoxy)-2,5-dimethylnitrobenzene
IUPAC
1-(4-bromophenoxy)-2,5-dimethyl-4-nitrobenzene

Names & synonyms

SCHEMBL3322580KXUXGGHOIKZERV-UHFFFAOYSA-N4-(4-bromophenoxy)-2,5-dimethylnitrobenzene

Database identifiers

PubChem CID
68595356

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
312

Related reactions

6 records
New reaction record
HRID 146480 reaction equation
HRID 146480As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 405002 reaction equation
HRID 405002As reactantuspto-grants-2014_06
HRID 405003 reaction equation
HRID 405003As productuspto-grants-2014_06
HRID 812050 reaction equation
HRID 812050As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2070238 reaction equation
HRID 2070238As reactantuspto-grants-2012_10
HRID 2070239 reaction equation
HRID 2070239As productuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes