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1264036-68-1 | 1-Pyrrolidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1264036-68-1 Catalog No: AG000SR3 MDL No:
Product Description
Catalog Number:
AG000SR3
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1264036-68-1
Molecular Formula:
C13H18ClN3O3
Molecular Weight:
299.7533
IUPAC Name:
tert-butyl (3R)-3-(2-chloropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-7-5-9(8-17)19-10-4-6-15-11(14)16-10/h4,6,9H,5,7-8H2,1-3H3/t9-/m1/s1
InChI Key:
QTOBLDDNTYTCMA-SECBINFHSA-N
SMILES:
O=C(N1CC[C@H](C1)Oc1ccnc(n1)Cl)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.755g/mol
Monoisotopic Mass:
299.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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