4-(6-Bromohexyloxy)-4'-nitrobiphenyl

HCID 20031234
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc(OCCCCCCBr)cc2)cc1
InChIKey
GLEPYNNEUNGMAU-UHFFFAOYSA-N
Molecular formula
C18H20BrNO3
Average molar mass
378.3 g/mol

Names & identifiers

Preferred name
4-(6-Bromohexyloxy)-4'-nitrobiphenyl
IUPAC
1-[4-(6-bromohexoxy)phenyl]-4-nitrobenzene

Names & synonyms

SCHEMBL10532793GLEPYNNEUNGMAU-UHFFFAOYSA-N4-(6-Bromohexyloxy)-4'-nitrobiphenyl

Database identifiers

PubChem CID
20031234

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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