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1483065-60-6 | Isothiazolo[5,4-d]pyrimidine, 4-chloro-
CAS No: 1483065-60-6 Catalog No: AG001FLD MDL No:
Product Description
Catalog Number:
AG001FLD
Chemical Name:
Isothiazolo[5,4-d]pyrimidine, 4-chloro-
CAS Number:
1483065-60-6
Molecular Formula:
C5H2ClN3S
Molecular Weight:
171.6075
IUPAC Name:
4-chloro-[1,2]thiazolo[5,4-d]pyrimidine
InChI:
InChI=1S/C5H2ClN3S/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H
InChI Key:
LGMHDRDXGUTFBQ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cns2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.966g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.602g/mol
Monoisotopic Mass:
170.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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