CAS
119986-76-4 Purity
96%
119986-76-4 Purity
96%
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Trans,trans-4'-(4'-propylbicyclohexyl-4-yl)-3,4-difluorobiphenyl
CAS
119990-81-7
Catalog Number
ACM119990817
Category
Other Products
Molecular Weight
396.6g/mol
Molecular Formula
C27H34F2
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Specification
Synonyms
TRANS,TRANS-4''-(4''-PROPYLBICYCLOHEXYL-4-YL)-3,4-DIFLUOROBIPHENYL
IUPAC Name
1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
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
1
Exact Mass
396.262857g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
29
Monoisotopic Mass
396.262857g/mol
Rotatable Bond Count
5
XLogP3
10.1
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