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21110-86-1 | 2,1,3-Benzothiadiazole-4-sulfonic acid, sodium salt (1:1)
CAS No: 21110-86-1 Catalog No: AG002L6I MDL No:MFCD23135360
Product Description
Catalog Number:
AG002L6I
Chemical Name:
2,1,3-Benzothiadiazole-4-sulfonic acid, sodium salt (1:1)
CAS Number:
21110-86-1
Molecular Formula:
C6H3N2NaO3S2
Molecular Weight:
238.2194
MDL Number:
MFCD23135360
IUPAC Name:
sodium;2,1,3-benzothiadiazole-4-sulfonate
InChI:
InChI=1S/C6H4N2O3S2.Na/c9-13(10,11)5-3-1-2-4-6(5)8-12-7-4;/h1-3H,(H,9,10,11);/q;+1/p-1
InChI Key:
DITVNBJVPLNZSO-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)c1cccc2c1nsn2.[Na+]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.211g/mol
Monoisotopic Mass:
237.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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