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851309-27-8 | 1,2-Benzisothiazole, 1-oxide
CAS No: 851309-27-8 Catalog No: AG008GE9 MDL No:
Product Description
Catalog Number:
AG008GE9
Chemical Name:
1,2-Benzisothiazole, 1-oxide
CAS Number:
851309-27-8
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
IUPAC Name:
1,2-benzothiazole 1-oxide
InChI:
InChI=1S/C7H5NOS/c9-10-7-4-2-1-3-6(7)5-8-10/h1-5H
InChI Key:
KANAPVJGZDNSCZ-UHFFFAOYSA-N
SMILES:
O=s1ncc2c1cccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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