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Home > Thiazole > 1329616-16-1
1329616-16-1 | Benzoisothiazol-3-one-13C6
CAS No: 1329616-16-1 Catalog No: AG01CC12 MDL No:
Product Description
Catalog Number:
AG01CC12
Chemical Name:
Benzoisothiazol-3-one-13C6
CAS Number:
1329616-16-1
IUPAC Name:
1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)/i1+1,2+1,3+1,4+1,6+1
InChI Key:
DMSMPAJRVJJAGA-ZFKNMOOESA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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