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(Q82485303)
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English
1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
356.93941763600003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₃Cl₂F₆NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H3Cl2F6NO3/c10-3-2-6(4(11)1-5(3)18(19)20)21-9(16,17)7(12)8(13,14)15/h1-2,7H
0 references
InChIKey
WDTRKHSHZIJORU-UHFFFAOYSA-N
0 references
CAS Registry Number
130841-23-5
1 reference
InChIKey
WDTRKHSHZIJORU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=130841-23-5
PubChem CID
17897697
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WDTRKHSHZIJORU-UHFFFAOYSA-N
UniChem compound ID
53573277
1 reference
stated in
UniChem
ZVG number
901556
0 references
DSSTox substance ID
DTXSID60591520
1 reference
matched by identifier from
InChIKey
InChIKey
WDTRKHSHZIJORU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10542284
0 references
ECHA Substance Infocard ID
100.101.457
0 references
100.119.384
0 references
HCIS ID
1243
0 references
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