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287952-08-3 | 1-Piperidinecarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 287952-08-3 Catalog No: AG002WIM MDL No:
Product Description
Catalog Number:
AG002WIM
Chemical Name:
1-Piperidinecarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
287952-08-3
Molecular Formula:
C17H22F3NO3
Molecular Weight:
345.3567
IUPAC Name:
tert-butyl 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C17H22F3NO3/c1-16(2,3)24-15(22)21-10-8-14(9-11-21)23-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3
InChI Key:
SBDIGZAKUAGTCO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.155g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.362g/mol
Monoisotopic Mass:
345.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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