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126877-13-2 | Thiazolo[5,4-d]isoxazole (9CI)
CAS No: 126877-13-2 Catalog No: AG000TEJ MDL No:
Product Description
Catalog Number:
AG000TEJ
Chemical Name:
Thiazolo[5,4-d]isoxazole (9CI)
CAS Number:
126877-13-2
Molecular Formula:
C4H2N2OS
Molecular Weight:
126.1365
IUPAC Name:
[1,3]thiazolo[5,4-d][1,2]oxazole
InChI:
InChI=1S/C4H2N2OS/c1-3-4(7-6-1)5-2-8-3/h1-2H
InChI Key:
SQRYZXCHZMCFEP-UHFFFAOYSA-N
SMILES:
c1nc2c(s1)cno2
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.989g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.133g/mol
Monoisotopic Mass:
125.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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