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

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Catalog Number

ACM119990817

Product Name

Structure

CAS

119990-81-7

Category

Heterocyclic Organic Compound

Synonyms

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

IUPAC Name

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

Molecular Weight

396.6g/mol

Molecular Formula

C27H34F2

Canonical SMILES

CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h12-22H,2-11H2,1H3

InChI Key

DOTCXRSWJCSMMA-UHFFFAOYSA-N

Complexity

467

Covalently-Bonded Unit Count

Exact Mass

396.262857g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

396.262857g/mol

Rotatable Bond Count

XLogP3

10.1

MSDS

COA

Spec Sheet

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