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122917-68-4 | Pyrimidine, 2-[6-(4-chlorophenoxy)-2-pyridinyl]-4-methyl-
CAS No: 122917-68-4 Catalog No: AG000JRP MDL No:
Product Description
Catalog Number:
AG000JRP
Chemical Name:
Pyrimidine, 2-[6-(4-chlorophenoxy)-2-pyridinyl]-4-methyl-
CAS Number:
122917-68-4
Molecular Formula:
C16H12ClN3O
Molecular Weight:
297.7390
IUPAC Name:
2-[6-(4-chlorophenoxy)pyridin-2-yl]-4-methylpyrimidine
InChI:
InChI=1S/C16H12ClN3O/c1-11-9-10-18-16(19-11)14-3-2-4-15(20-14)21-13-7-5-12(17)6-8-13/h2-10H,1H3
InChI Key:
UVPDYVCVLDCWRT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1cccc(n1)c1nccc(n1)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.742g/mol
Monoisotopic Mass:
297.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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