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21465-51-0 | sodium benzothiazole-2-sulphonate
CAS No: 21465-51-0 Catalog No: AG00CBC6 MDL No:
Product Description
Catalog Number:
AG00CBC6
Chemical Name:
sodium benzothiazole-2-sulphonate
CAS Number:
21465-51-0
IUPAC Name:
sodium;1,3-benzothiazole-2-sulfonate
InChI:
InChI=1S/C7H5NO3S2.Na/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;/h1-4H,(H,9,10,11);/q;+1/p-1
InChI Key:
QAUFTGCWOWNCBZ-UHFFFAOYSA-M
EC Number:
244-399-1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.223g/mol
Monoisotopic Mass:
236.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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