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39512-78-2 | Benzothiazole, 2-(1,2,4-oxadiazol-3-yl)- (9CI)
CAS No: 39512-78-2 Catalog No: AG00D47C MDL No:
Product Description
Catalog Number:
AG00D47C
Chemical Name:
Benzothiazole, 2-(1,2,4-oxadiazol-3-yl)- (9CI)
CAS Number:
39512-78-2
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H5N3OS/c1-2-4-7-6(3-1)11-9(14-7)8-10-5-13-12-8/h1-5H
InChI Key:
ZEUFWRBCUDCSFJ-UHFFFAOYSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.219g/mol
Monoisotopic Mass:
203.015g/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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