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1261235-50-0 | 1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1261235-50-0 Catalog No: AG000RPH MDL No:MFCD18380414
Product Description
Catalog Number:
AG000RPH
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1261235-50-0
Molecular Formula:
C13H18ClN3O3
Molecular Weight:
299.7533
MDL Number:
MFCD18380414
IUPAC Name:
tert-butyl (3R)-3-(6-chloropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-5-4-9(7-17)19-11-6-10(14)15-8-16-11/h6,8-9H,4-5,7H2,1-3H3/t9-/m1/s1
InChI Key:
SVKXSLNUEALQMH-SECBINFHSA-N
SMILES:
O=C(N1CC[C@H](C1)Oc1ncnc(c1)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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