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1260656-68-5 | Pyrimidine, 4-(6-chloro-2-pyridinyl)-2-methoxy-5-(3-methyl-5-isoxazolyl)-
CAS No: 1260656-68-5 Catalog No: AG000QZ3 MDL No:
Product Description
Catalog Number:
AG000QZ3
Chemical Name:
Pyrimidine, 4-(6-chloro-2-pyridinyl)-2-methoxy-5-(3-methyl-5-isoxazolyl)-
CAS Number:
1260656-68-5
Molecular Formula:
C14H11ClN4O2
Molecular Weight:
302.7157
IUPAC Name:
5-[4-(6-chloropyridin-2-yl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3
InChI Key:
JYDNRRGALKLEAR-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)c1cccc(n1)Cl)c1onc(c1)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.718g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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