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101480-22-2 | 1,2-Benzisothiazole, 3-(2H-tetrazol-5-ylmethoxy)-
CAS No: 101480-22-2 Catalog No: AG0004KP MDL No:
Product Description
Catalog Number:
AG0004KP
Chemical Name:
1,2-Benzisothiazole, 3-(2H-tetrazol-5-ylmethoxy)-
CAS Number:
101480-22-2
Molecular Formula:
C9H7N5OS
Molecular Weight:
233.2498
IUPAC Name:
3-(2H-tetrazol-5-ylmethoxy)-1,2-benzothiazole
InChI:
InChI=1S/C9H7N5OS/c1-2-4-7-6(3-1)9(12-16-7)15-5-8-10-13-14-11-8/h1-4H,5H2,(H,10,11,13,14)
InChI Key:
MIJOGDQRETVLGQ-UHFFFAOYSA-N
SMILES:
n1[nH]nc(n1)COc1nsc2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.249g/mol
Monoisotopic Mass:
233.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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