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55439-43-5 | Benzothiazole, 2-(5-methyl-1,3,4-oxadiazol-2-yl)- (9CI)
CAS No: 55439-43-5 Catalog No: AG00DO20 MDL No:
Product Description
Catalog Number:
AG00DO20
Chemical Name:
Benzothiazole, 2-(5-methyl-1,3,4-oxadiazol-2-yl)- (9CI)
CAS Number:
55439-43-5
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C10H7N3OS/c1-6-12-13-9(14-6)10-11-7-4-2-3-5-8(7)15-10/h2-5H,1H3
InChI Key:
BLKLXEMNRRTKDN-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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