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873066-17-2 | 2,1,3-Benzothiadiazole-4-sulfonic acid, 7-amino-
CAS No: 873066-17-2 Catalog No: AG004HP7 MDL No:
Product Description
Catalog Number:
AG004HP7
Chemical Name:
2,1,3-Benzothiadiazole-4-sulfonic acid, 7-amino-
CAS Number:
873066-17-2
Molecular Formula:
C6H5N3O3S2
Molecular Weight:
231.2522
IUPAC Name:
7-amino-2,1,3-benzothiadiazole-4-sulfonic acid
InChI:
InChI=1S/C6H5N3O3S2/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6/h1-2H,7H2,(H,10,11,12)
InChI Key:
SDDWXQHDLKALLM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1nsn2)S(=O)(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.244g/mol
Monoisotopic Mass:
230.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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