Cyclohexanecarboxamide, N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-

HCID 163772
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Basic information

CAS
107349-85-9
Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIKey
SAYBNFCGPRCAGY-UHFFFAOYSA-N
Molecular formula
C13H4BrF11N2O3
Average molar mass
525.07 g/mol
Monoisotopic mass
523.92296451

Names & identifiers

Preferred name
Cyclohexanecarboxamide, N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-
IUPAC
N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

Names & synonyms

N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamideCyclohexanecarboxamide, N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-107349-85-9DTXSID7073775RefChem:335288DTXCID2033071SCHEMBL9869292N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamideNS001157462'-Bromo-4'-nitro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxanilide

Database identifiers

CAS
107349-85-9
PubChem CID
163772
DTXSID
DTXSID7073775

Properties

Computed structural properties

XLogP
5
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
14
Rotatable bonds
2
Heavy atoms
30

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances

PFAS -> non-polymer

PFAS -> Other/unspecified

Chemistry & industry

Uses & manufacturing

Uses · 2 items

non-polymer PFAS -> Pesticides -> Active ingredients

• Insecticide [Ref: Ogawa2020]

Related reactions

3 records
New reaction record

Compound notes

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