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89203-81-6 | Cyclohexanecarboxylic acid, 4-hexyl-, 2,4-difluorophenyl ester, trans-
CAS No: 89203-81-6 Catalog No: AG0046B4 MDL No:
Product Description
Catalog Number:
AG0046B4
Chemical Name:
Cyclohexanecarboxylic acid, 4-hexyl-, 2,4-difluorophenyl ester, trans-
CAS Number:
89203-81-6
Molecular Formula:
C19H26F2O2
Molecular Weight:
324.4053
IUPAC Name:
(2,4-difluorophenyl) 4-hexylcyclohexane-1-carboxylate
InChI:
InChI=1S/C19H26F2O2/c1-2-3-4-5-6-14-7-9-15(10-8-14)19(22)23-18-12-11-16(20)13-17(18)21/h11-15H,2-10H2,1H3
InChI Key:
GIZBCFBLMCVUIL-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.412g/mol
Monoisotopic Mass:
324.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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