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163263-91-0 | Pyrimidine, 2,4-dichloro-6-(4-methoxyphenyl)-
CAS No: 163263-91-0 Catalog No: AG001TXU MDL No:MFCD18074237
Product Description
Catalog Number:
AG001TXU
Chemical Name:
Pyrimidine, 2,4-dichloro-6-(4-methoxyphenyl)-
CAS Number:
163263-91-0
Molecular Formula:
C11H8Cl2N2O
Molecular Weight:
255.1000
MDL Number:
MFCD18074237
IUPAC Name:
2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
InChI:
InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
InChI Key:
QYHGNJWTEXUEGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(Cl)nc(n1)Cl
Properties
Complexity:
222
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:
3.8
Literature
| Title | Journal |
|---|---|
| Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits. | Bioorganic & medicinal chemistry 20120501 |
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