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89508-69-0 | Pyrimidine, 4,6-dichloro-2-[3-(4-chlorophenoxy)phenyl]-
CAS No: 89508-69-0 Catalog No: AG00417W MDL No:
Product Description
Catalog Number:
AG00417W
Chemical Name:
Pyrimidine, 4,6-dichloro-2-[3-(4-chlorophenoxy)phenyl]-
CAS Number:
89508-69-0
Molecular Formula:
C16H9Cl3N2O
Molecular Weight:
351.6145
IUPAC Name:
4,6-dichloro-2-[3-(4-chlorophenoxy)phenyl]pyrimidine
InChI:
InChI=1S/C16H9Cl3N2O/c17-11-4-6-12(7-5-11)22-13-3-1-2-10(8-13)16-20-14(18)9-15(19)21-16/h1-9H
InChI Key:
QPHPADGGIFXDEA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1cccc(c1)c1nc(Cl)cc(n1)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.978g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.611g/mol
Monoisotopic Mass:
349.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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