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1261232-15-8 | 1-Pyrrolidinecarboxylic acid, 2-[[(5-chloro-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261232-15-8 Catalog No: AG000ROT MDL No:MFCD18380141
Product Description
Catalog Number:
AG000ROT
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[(5-chloro-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261232-15-8
Molecular Formula:
C14H20ClN3O3
Molecular Weight:
313.7799
MDL Number:
MFCD18380141
IUPAC Name:
tert-butyl 2-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-6-4-5-11(18)9-20-12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3
InChI Key:
MFIHNSGPZRXYCN-UHFFFAOYSA-N
SMILES:
Clc1cnc(nc1)OCC1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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