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1289385-82-5 | 1-Pyrrolidinecarboxylic acid, 2-[[(4-chloro-5-methyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289385-82-5 Catalog No: AG000YLA MDL No:
Product Description
Catalog Number:
AG000YLA
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[(4-chloro-5-methyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289385-82-5
Molecular Formula:
C15H22ClN3O3
Molecular Weight:
327.8065
IUPAC Name:
tert-butyl 2-[(4-chloro-5-methylpyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H22ClN3O3/c1-10-8-17-13(18-12(10)16)21-9-11-6-5-7-19(11)14(20)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3
InChI Key:
ONUVIWLNOWPYAO-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1COc1ncc(c(n1)Cl)C)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.809g/mol
Monoisotopic Mass:
327.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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