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150727-72-3 | Pyrimidine, 4,6-dichloro-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-
CAS No: 150727-72-3 Catalog No: AG001MTO MDL No:
Product Description
Catalog Number:
AG001MTO
Chemical Name:
Pyrimidine, 4,6-dichloro-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-
CAS Number:
150727-72-3
Molecular Formula:
C16H11Cl2N3O2
Molecular Weight:
348.1834
IUPAC Name:
4,6-dichloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidine
InChI:
InChI=1S/C16H11Cl2N3O2/c1-22-11-4-2-3-5-12(11)23-13-14(17)20-16(21-15(13)18)10-6-8-19-9-7-10/h2-9H,1H3
InChI Key:
SDFQMDWIFGNAGM-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1c(Cl)nc(nc1Cl)c1ccncc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.183g/mol
Monoisotopic Mass:
347.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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