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89203-90-7 | Cyclohexanecarboxylic acid, 4-butyl-, 2,4-difluorophenyl ester, trans-
CAS No: 89203-90-7 Catalog No: AG00446O MDL No:
Product Description
Catalog Number:
AG00446O
Chemical Name:
Cyclohexanecarboxylic acid, 4-butyl-, 2,4-difluorophenyl ester, trans-
CAS Number:
89203-90-7
Molecular Formula:
C17H22F2O2
Molecular Weight:
296.3522
IUPAC Name:
(2,4-difluorophenyl) 4-butylcyclohexane-1-carboxylate
InChI:
InChI=1S/C17H22F2O2/c1-2-3-4-12-5-7-13(8-6-12)17(20)21-16-10-9-14(18)11-15(16)19/h9-13H,2-8H2,1H3
InChI Key:
JSTWFRWIHNNBTN-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.358g/mol
Monoisotopic Mass:
296.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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