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1261235-31-7 | 1-Pyrrolidinecarboxylic acid, 3-[(4-chloro-5-methyl-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1261235-31-7 Catalog No: AG000RPJ MDL No:MFCD18380143
Product Description
Catalog Number:
AG000RPJ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(4-chloro-5-methyl-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1261235-31-7
Molecular Formula:
C14H20ClN3O3
Molecular Weight:
313.7799
MDL Number:
MFCD18380143
IUPAC Name:
tert-butyl (3R)-3-(4-chloro-5-methylpyrimidin-2-yl)oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20ClN3O3/c1-9-7-16-12(17-11(9)15)20-10-5-6-18(8-10)13(19)21-14(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1
InChI Key:
WWINDAUYBILPGN-SNVBAGLBSA-N
SMILES:
O=C(N1CC[C@H](C1)Oc1ncc(c(n1)Cl)C)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.782g/mol
Monoisotopic Mass:
313.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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