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146533-56-4 | Pyrimidine, 4,6-dichloro-5-(4-methoxyphenyl)-
CAS No: 146533-56-4 Catalog No: AG001E4B MDL No:
Product Description
Catalog Number:
AG001E4B
Chemical Name:
Pyrimidine, 4,6-dichloro-5-(4-methoxyphenyl)-
CAS Number:
146533-56-4
Molecular Formula:
C11H8Cl2N2O
Molecular Weight:
255.1000
IUPAC Name:
4,6-dichloro-5-(4-methoxyphenyl)pyrimidine
InChI:
InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-10(12)14-6-15-11(9)13/h2-6H,1H3
InChI Key:
ZZVJLGWDJYKEKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(Cl)ncnc1Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.098g/mol
Monoisotopic Mass:
254.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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