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1289385-41-6 | Pyrimidine, 4-chloro-2-methoxy-5-methyl-
CAS No: 1289385-41-6 Catalog No: AG000YKJ MDL No:
Product Description
Catalog Number:
AG000YKJ
Chemical Name:
Pyrimidine, 4-chloro-2-methoxy-5-methyl-
CAS Number:
1289385-41-6
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
IUPAC Name:
4-chloro-2-methoxy-5-methylpyrimidine
InChI:
InChI=1S/C6H7ClN2O/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3
InChI Key:
ZLGUMTLRWKNCCA-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)Cl)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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