4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol

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Catalog Number

ACM651843

Product Name

Structure

CAS

651-84-3

Category

Heterocyclic Organic Compound

IUPAC Name

2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiol

Molecular Weight

250.14g/mol

Molecular Formula

C7HF7S

Canonical SMILES

C1(=C(C(=C(C(=C1F)F)S)F)F)C(F)(F)F

InChI

InChI=1S/C7HF7S/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H

InChI Key

BXMOMKVOHOSVJH-UHFFFAOYSA-N

Complexity

214

Covalently-Bonded Unit Count

Exact Mass

249.968718g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

249.968718g/mol

Rotatable Bond Count

XLogP3

3.4

MSDS

COA

Spec Sheet

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