CAS
935534-38-6 Purity
96%
935534-38-6 Purity
96%
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tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate
CAS
935534-44-4
Catalog Number
ACM935534444
Category
Other Products
Molecular Weight
407.404610 [g/mol]
Molecular Formula
C17H20F3NO5S
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Specification
Synonyms
tert-butyl 2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate, 935534-44-4
IUPAC Name
tert-butyl 2,2-dimethyl-4-(trifluoromethylsulfonyloxy)quinoline-1-carboxylate
InChI Key
KJZMELHKSMQQQY-UHFFFAOYSA-N
Exact Mass
407.10100
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The molecular formula is C17H20F3NO5S.
What is the molecular weight of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The molecular weight is 407.4 g/mol.
What is the IUPAC name of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The IUPAC name is tert-butyl 2,2-dimethyl-4-(trifluoromethylsulfonyloxy)quinoline-1-carboxylate.
What is the InChI of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The InChI is InChI=1S/C17H20F3NO5S/c1-15(2,3)25-14(22)21-12-9-7-6-8-11(12)13(10-16(21,4)5)26-27(23,24)17(18,19)20/h6-10H,1-5H3.
What is the InChIKey of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The InChIKey is KJZMELHKSMQQQY-UHFFFAOYSA-N.
What is the canonical SMILES of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The canonical SMILES is CC1(C=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F)C.
What is the CAS number of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The CAS number is 935534-44-4.
What is the DSSTox Substance ID of tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate?
The DSSTox Substance ID is DTXSID70701810.
Is tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound.
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