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5018-38-2 | 4,6-Dichloro-5-methoxypyrimidine
CAS No: 5018-38-2 Catalog No: AG003KJB MDL No:MFCD00087680
Product Description
Catalog Number:
AG003KJB
Chemical Name:
4,6-Dichloro-5-methoxypyrimidine
CAS Number:
5018-38-2
Molecular Formula:
C5H4Cl2N2O
Molecular Weight:
179.0041
MDL Number:
MFCD00087680
IUPAC Name:
4,6-dichloro-5-methoxypyrimidine
InChI:
InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3
InChI Key:
IJQIGKLDBGKSNT-UHFFFAOYSA-N
SMILES:
COc1c(Cl)ncnc1Cl
EC Number:
225-699-1
NSC Number:
252184
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179g/mol
Monoisotopic Mass:
177.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 4,6-Dichloro-5-methoxy-pyrimidine. | Acta crystallographica. Section E, Structure reports online 20100201 |
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