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1417793-56-6 | 1-Pyrrolidinecarboxylic acid, 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-56-6 Catalog No: AG001H3X MDL No:
Product Description
Catalog Number:
AG001H3X
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-56-6
Molecular Formula:
C16H20ClF3N2O3
Molecular Weight:
380.7898
IUPAC Name:
tert-butyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H20ClF3N2O3/c1-15(2,3)25-14(23)22-5-4-10(8-22)9-24-13-12(17)6-11(7-21-13)16(18,19)20/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
AXPZLRVDNSNKSR-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)COc1ncc(cc1Cl)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.792g/mol
Monoisotopic Mass:
380.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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