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1417789-41-3 | 1-Pyrrolidinecarboxylic acid, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1417789-41-3 Catalog No: AG001H1L MDL No:MFCD22631739
Product Description
Catalog Number:
AG001H1L
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1417789-41-3
Molecular Formula:
C15H18ClF3N2O3
Molecular Weight:
366.7632
MDL Number:
MFCD22631739
IUPAC Name:
tert-butyl (3S)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H18ClF3N2O3/c1-14(2,3)24-13(22)21-5-4-10(8-21)23-12-11(16)6-9(7-20-12)15(17,18)19/h6-7,10H,4-5,8H2,1-3H3/t10-/m0/s1
InChI Key:
RRJLLSOFCVYKRT-JTQLQIEISA-N
SMILES:
O=C(N1CC[C@@H](C1)Oc1ncc(cc1Cl)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.765g/mol
Monoisotopic Mass:
366.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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