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122317-95-7 | Cyclohexanecarboxylic acid, 4-pentyl-, 4-[(2-fluorooctyl)oxy]phenyl ester
CAS No: 122317-95-7 Catalog No: AG001730 MDL No:
Product Description
Catalog Number:
AG001730
Chemical Name:
Cyclohexanecarboxylic acid, 4-pentyl-, 4-[(2-fluorooctyl)oxy]phenyl ester
CAS Number:
122317-95-7
Molecular Formula:
C26H41FO3
Molecular Weight:
420.6003
IUPAC Name:
[4-(2-fluorooctoxy)phenyl] 4-pentylcyclohexane-1-carboxylate
InChI:
InChI=1S/C26H41FO3/c1-3-5-7-9-11-23(27)20-29-24-16-18-25(19-17-24)30-26(28)22-14-12-21(13-15-22)10-8-6-4-2/h16-19,21-23H,3-15,20H2,1-2H3
InChI Key:
FAFSIVFSEUXTOE-UHFFFAOYSA-N
SMILES:
CCCCCCC(COc1ccc(cc1)OC(=O)C1CCC(CC1)CCCCC)F
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.304g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.609g/mol
Monoisotopic Mass:
420.304g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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