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286390-50-9 | Thiazolo[4,5-e]-2,1,3-benzoxadiazole(9CI)
CAS No: 286390-50-9 Catalog No: AG002VXO MDL No:
Product Description
Catalog Number:
AG002VXO
Chemical Name:
Thiazolo[4,5-e]-2,1,3-benzoxadiazole(9CI)
CAS Number:
286390-50-9
Molecular Formula:
C7H3N3OS
Molecular Weight:
177.1832
IUPAC Name:
[1,3]thiazolo[5,4-g][2,1,3]benzoxadiazole
InChI:
InChI=1S/C7H3N3OS/c1-2-5-7(8-3-12-5)6-4(1)9-11-10-6/h1-3H
InChI Key:
XABXXZQKGVLGMG-UHFFFAOYSA-N
SMILES:
o1nc2c(n1)c1ncsc1cc2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.181g/mol
Monoisotopic Mass:
177g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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