Trans,trans-4'-(4'-pentylbicyclohexyl-4-yl)-3,4-difluorobiphenyl

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Catalog Number

ACM136609966

Product Name

Structure

CAS

136609-96-6

Category

Heterocyclic Organic Compound

Synonyms

TRANS,TRANS-4''-(4''-PENTYLBICYCLOHEXYL-4-YL)-3,4-DIFLUOROBIPHENYL

IUPAC Name

1,2-difluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene

Molecular Weight

424.6g/mol

Molecular Formula

C29H38F2

Canonical SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C29H38F2/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-28(30)29(31)20-27/h14-24H,2-13H2,1H3

InChI Key

HRTSRDFZYBCCMA-UHFFFAOYSA-N

Complexity

495

Covalently-Bonded Unit Count

Exact Mass

424.294158g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

424.294158g/mol

Rotatable Bond Count

XLogP3

11.2

MSDS

COA

Spec Sheet

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