chempirical

2-Methylbenzofuro[2,3-B]pyridin-8-yl trifluoromethanesulfonate

C13H8F3NO4SCAS 1609373-98-9331.27 g/mol

Open in Covalent MOL file
NOOSOOFFF
Alkyl halideSulfonate ester

Properties

Molecular formula
C13H8F3NO4S
Molar mass
331.27 g/mol
Exact mass
331.0126 Da
logP
3.52Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1609373-98-9
SMILES
CC1=NC2=C(C=C1)C3=C(O2)C(=CC=C3)OS(=O)(=O)C(F)(F)F
InChIKey
IVBUSTUQAWHPIQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F3NO4S/c1-7-5-6-9-8-3-2-4-10(11(8)20-12(9)17-7)21-22(18,19)13(14,15)16/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Methylbenzofuro[2,3-B]pyridin-8-yl trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuro[2,3-B]pyridine1609374-04-047 % similar 2-Methyl-8-(pyridin-2-yl)benzofuro[2,3-B]pyridine1609373-99-044 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-741 % similar (S)-BINOL bis(triflate)128544-05-841 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-841 % similar 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-441 % similar 4-Acetylphenyl trifluoromethanesulfonate109613-00-531 % similar 4-Chloro-8-methoxy-2-methylquinoline64951-58-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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