1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene

HCID 17828877
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
109230-68-4
Standard SMILES
O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIKey
AZABPWAOUQABLY-UHFFFAOYSA-N
Molecular formula
C10H6F7NO3
Average molar mass
321.15 g/mol
Monoisotopic mass
321.02359019

Names & identifiers

Preferred name
1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene
IUPAC
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-4-nitrobenzene

Names & synonyms

1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene109230-68-4DTXSID20895970RefChem:222687DTXCID7013254644-(1H,1H-Heptafluorobutoxy)-1-nitrobenzeneSCHEMBL3040542NS001097184-(2',2',3',3',4',4',4'-heptafluorobutanoxy)nitrobenzene

Database identifiers

CAS
109230-68-4
PubChem CID
17828877
DTXSID
DTXSID20895970
Nikkaji
J777.564D

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
21

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Related reactions

4 records
New reaction record

Compound notes

Loading…