Neodymium(III) trifluoromethanesulfonate

Catalog Number	ACM34622087-1
CAS	34622-08-7
Structure
Synonyms	Neodymium(III) triflate
IUPAC Name	neodymium(3+);trifluoromethanesulfonate;
Molecular Weight	591.5
Molecular Formula	C3F9NdO9S3
Canonical 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]
InChI	InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;+3/p-3
InChI Key	WYRSPTDNOIZOGA-UHFFFAOYSA-K
Purity	98%
Appearance	Powder
Complexity	145
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	588.7638
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	0
Monoisotopic Mass	588.7638
Rotatable Bond Count	0
Topological Polar Surface Area	197 Ų

Q&A

What is the molecular formula of neodymium(III) trifluoromethanesulfonate?

The molecular formula is C3F9NdO9S3.

What is the molecular weight of neodymium(III) trifluoromethanesulfonate?

The molecular weight is 591.5 g/mol.

What is the IUPAC name of neodymium(III) trifluoromethanesulfonate?

The IUPAC name is neodymium(3+);trifluoromethanesulfonate.

What is the InChI of neodymium(III) trifluoromethanesulfonate?

The InChI is InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3.

What is the InChIKey of neodymium(III) trifluoromethanesulfonate?

The InChIKey is WYRSPTDNOIZOGA-UHFFFAOYSA-K.

What is the canonical SMILES of neodymium(III) trifluoromethanesulfonate?

The canonical SMILES is 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].

What is the CAS number of neodymium(III) trifluoromethanesulfonate?

The CAS number is 34622-08-7.

What is the European Community (EC) Number of neodymium(III) trifluoromethanesulfonate?

The European Community (EC) Number is 627-624-1.

What is the hydrogen bond donor count of neodymium(III) trifluoromethanesulfonate?

The hydrogen bond donor count is 0.

Is neodymium(III) trifluoromethanesulfonate considered as a canonical compound?

Yes, it is considered as a canonical compound.