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78620-21-0 | 1,3,4-Oxadiazol-2(3H)-one,5-(2-benzothiazolyl)-(9CI)
CAS No: 78620-21-0 Catalog No: AG00GH63 MDL No:
Product Description
Catalog Number:
AG00GH63
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one,5-(2-benzothiazolyl)-(9CI)
CAS Number:
78620-21-0
IUPAC Name:
5-(1,3-benzothiazol-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C9H5N3O2S/c13-9-12-11-7(14-9)8-10-5-3-1-2-4-6(5)15-8/h1-4H,(H,12,13)
InChI Key:
AXGOAKFPGWSBSI-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.218g/mol
Monoisotopic Mass:
219.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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