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864654-99-9 | 2,4-dichloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine
CAS No: 864654-99-9 Catalog No: AG003AJR MDL No:
Product Description
Catalog Number:
AG003AJR
Chemical Name:
2,4-dichloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine
CAS Number:
864654-99-9
Molecular Formula:
C7H4Cl2N4O
Molecular Weight:
231.0389
IUPAC Name:
3-(2,4-dichloropyrimidin-5-yl)-5-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C7H4Cl2N4O/c1-3-11-6(13-14-3)4-2-10-7(9)12-5(4)8/h2H,1H3
InChI Key:
GCRNCGDQVWABBV-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Cl)c1noc(n1)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.036g/mol
Monoisotopic Mass:
229.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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