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132123-45-6 | [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 3,4,5-trifluorophenyl ester, (trans,trans)-
CAS No: 132123-45-6 Catalog No: AG00109Q MDL No:MFCD11053486
Product Description
Catalog Number:
AG00109Q
Chemical Name:
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 3,4,5-trifluorophenyl ester, (trans,trans)-
CAS Number:
132123-45-6
Molecular Formula:
C22H29F3O2
Molecular Weight:
382.4597
MDL Number:
MFCD11053486
IUPAC Name:
(3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3
InChI Key:
SDAWLPKKYZMFEM-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(=O)Oc1cc(F)c(c(c1)F)F
EC Number:
603-548-4
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.212g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.467g/mol
Monoisotopic Mass:
382.212g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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