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4337-47-7 | 6-Methylbenzo[d]isothiazol-3(2H)-one
CAS No: 4337-47-7 Catalog No: AG00DJPQ MDL No:
Product Description
Catalog Number:
AG00DJPQ
Chemical Name:
6-Methylbenzo[d]isothiazol-3(2H)-one
CAS Number:
4337-47-7
IUPAC Name:
6-methyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
InChI Key:
MKOBQYYGSDGUMU-UHFFFAOYSA-N
NSC Number:
48653
Properties
Complexity:
183
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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