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89508-67-8 | Pyrimidine, 4,6-dichloro-2-(4-phenoxyphenyl)-
CAS No: 89508-67-8 Catalog No: AG0041ED MDL No:
Product Description
Catalog Number:
AG0041ED
Chemical Name:
Pyrimidine, 4,6-dichloro-2-(4-phenoxyphenyl)-
CAS Number:
89508-67-8
Molecular Formula:
C16H10Cl2N2O
Molecular Weight:
317.1694
IUPAC Name:
4,6-dichloro-2-(4-phenoxyphenyl)pyrimidine
InChI:
InChI=1S/C16H10Cl2N2O/c17-14-10-15(18)20-16(19-14)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10H
InChI Key:
BMEGFSAGKVPCLD-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.169g/mol
Monoisotopic Mass:
316.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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