chempirical

Neodymium(III) trifluoromethanesulfonate

C3F9NdO9S3CAS 34622-08-7591.43 g/mol

Open in Covalent MOL file
FFFSOOO−FFFSOOO−FFFSOOO−Nd3+
Alkyl halideSulfonic acid

Properties

Molecular formula
C3F9NdO9S3
Molar mass
591.43 g/mol
Exact mass
588.7638 Da
logP
0.15Crippen estimate
Polar surface area
171.6 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
0

Identifiers

CAS number
34622-08-7
SMILES
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Nd+3]
InChIKey
WYRSPTDNOIZOGA-UHFFFAOYSA-K
InChI
InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

Weigh it out

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

Work with Neodymium(III) 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt Zinc triflate54010-75-2Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-371 % similar Trifluoromethanesulfonyl chloride421-83-038 % similar Lithium nonafluorobutanesulfonate131651-65-534 % similar Potassium perfluorobutanesulfonate29420-49-334 % similar Potassium perfluorooctanesulfonate2795-39-333 % similar Trifluoromethanesulfonyl fluoride335-05-733 % similar Potassium perfluorohexanesulfonate3871-99-633 % similar Trifluoromethanesulfonic anhydride358-23-632 % similar

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

Elsewhere

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