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89203-92-9 | Cyclohexanecarboxylic acid, 4-octyl-, 2,4-difluorophenyl ester, trans-
CAS No: 89203-92-9 Catalog No: AG00446M MDL No:
Product Description
Catalog Number:
AG00446M
Chemical Name:
Cyclohexanecarboxylic acid, 4-octyl-, 2,4-difluorophenyl ester, trans-
CAS Number:
89203-92-9
Molecular Formula:
C21H30F2O2
Molecular Weight:
352.4585
IUPAC Name:
(2,4-difluorophenyl) 4-octylcyclohexane-1-carboxylate
InChI:
InChI=1S/C21H30F2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21(24)25-20-14-13-18(22)15-19(20)23/h13-17H,2-12H2,1H3
InChI Key:
IANFQKPNRCZUER-UHFFFAOYSA-N
SMILES:
CCCCCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1F)F
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.221g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.466g/mol
Monoisotopic Mass:
352.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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