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100003-85-8 | 5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-3-(4-chlorophenyl)-
CAS No: 100003-85-8 Catalog No: AG00009E MDL No:
Product Description
Catalog Number:
AG00009E
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-3-(4-chlorophenyl)-
CAS Number:
100003-85-8
Molecular Formula:
C13H8Cl2N2OS
Molecular Weight:
311.1864
IUPAC Name:
7-(chloromethyl)-3-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C13H8Cl2N2OS/c14-6-10-5-12(18)17-11(7-19-13(17)16-10)8-1-3-9(15)4-2-8/h1-5,7H,6H2
InChI Key:
YGUARRHCBSLHCR-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)n2c(n1)scc2c1ccc(cc1)Cl
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.973g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.18g/mol
Monoisotopic Mass:
309.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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