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4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate

Catalog Number
ACM123843696
CAS Number
123843-69-6
Product Name
4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
4-CYANO-3,5-DIFLUOROPHENYL 4-PENTYL-BENZOATE
IUPAC Name
(4-cyano-3,5-difluorophenyl) 4-pentylbenzoate
Molecular Weight
329.3g/mol
Molecular Formula
C19H17F2NO2
Canonical SMILES
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F
InChI
InChI=1S/C19H17F2NO2/c1-2-3-4-5-13-6-8-14(9-7-13)19(23)24-15-10-17(20)16(12-22)18(21)11-15/h6-11H,2-5H2,1H3
InChI Key
ZSDURCFSQJERPJ-UHFFFAOYSA-N
Complexity
442
Covalently-Bonded Unit Count
1
Exact Mass
329.122735g/mol
Formal Charge
0
Heavy Atom Count
24
Monoisotopic Mass
329.122735g/mol
Rotatable Bond Count
7
XLogP3
5.7
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