tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate

CAS
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CAS
935534-44-4
Size
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Purity
96%
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Catalog Number

ACM935534444

Product Name

tert-Butyl2,2-dimethyl-4-{[(trifluoromethyl)sulfonyl]oxy}quinoline-1(2H)-carboxylate

Structure

Structure

CAS

935534-44-4

Category

Heterocyclic Organic Compound

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

Molecular Weight

407.404610 [g/mol]

Molecular Formula

C₁₇H₂₀F₃NO₅S

InChI Key

KJZMELHKSMQQQY-UHFFFAOYSA-N

Exact Mass

407.10100

H-Bond Acceptor

8

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

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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