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1998-60-3 | Thiazolo[5,4-d]pyrimidine, 5-chloro-7-(trifluoromethyl)-
CAS No: 1998-60-3 Catalog No: AG002CCQ MDL No:
Product Description
Catalog Number:
AG002CCQ
Chemical Name:
Thiazolo[5,4-d]pyrimidine, 5-chloro-7-(trifluoromethyl)-
CAS Number:
1998-60-3
Molecular Formula:
C6HClF3N3S
Molecular Weight:
239.6054
IUPAC Name:
5-chloro-7-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
InChI:
InChI=1S/C6HClF3N3S/c7-5-12-3(6(8,9)10)2-4(13-5)14-1-11-2/h1H
InChI Key:
DHXRSAUXQWTQQU-UHFFFAOYSA-N
SMILES:
Clc1nc2scnc2c(n1)C(F)(F)F
NSC Number:
52340
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.6g/mol
Monoisotopic Mass:
238.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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