1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)

Name: 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)
SKU: ACM137814074-2
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Catalog NumberACM137814074-2

CAS Number137814-07-4

CategoryOther Materials

1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)

IUPAC Name

3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene

Molecular Weight

468.5g/mol

Molecular Formula

C23H14F6S2

Canonical SMILES

CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)C

InChI

InChI=1S/C23H14F6S2/c1-11-17(13-7-3-5-9-15(13)30-11)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)31-16-10-6-4-8-14(16)18/h3-10H,1-2H3

InChI Key

CNLMHUFAXSWHFA-UHFFFAOYSA-N

Complexity

705

Covalently-Bonded Unit Count

Exact Mass

468.044112g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

468.044112g/mol

Rotatable Bond Count

XLogP3

7.6

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