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40991-38-6 | 3-Methoxy-1,2-benzisothiazole
CAS No: 40991-38-6 Catalog No: AG00D6MG MDL No:
Product Description
Catalog Number:
AG00D6MG
Chemical Name:
3-Methoxy-1,2-benzisothiazole
CAS Number:
40991-38-6
IUPAC Name:
3-methoxy-1,2-benzothiazole
InChI:
InChI=1S/C8H7NOS/c1-10-8-6-4-2-3-5-7(6)11-9-8/h2-5H,1H3
InChI Key:
UEFUDKGNYZGKGW-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis of 1,2-benzisothiazolyloxypropanolamine derivatives and investigation of their activity at beta-adrenoceptors. | Farmaco (Societa chimica italiana : 1989) 20051001 |
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