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122970-50-7 | Thiazolo[4,5-d]pyrimidine, 2,5,7-trichloro-
CAS No: 122970-50-7 Catalog No: AG000JUH MDL No:
Product Description
Catalog Number:
AG000JUH
Chemical Name:
Thiazolo[4,5-d]pyrimidine, 2,5,7-trichloro-
CAS Number:
122970-50-7
Molecular Formula:
C5Cl3N3S
Molecular Weight:
240.4976
IUPAC Name:
2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C5Cl3N3S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1
InChI Key:
HIWGATGOXMCBBI-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)nc(s2)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.888g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.486g/mol
Monoisotopic Mass:
238.888g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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