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128-44-9 | Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide
CAS No: 128-44-9 Catalog No: AG003UE0 MDL No:MFCD00013092
Product Description
Catalog Number:
AG003UE0
Chemical Name:
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide
CAS Number:
128-44-9
Molecular Formula:
C7H4NNaO3S
Molecular Weight:
205.1663
MDL Number:
MFCD00013092
IUPAC Name:
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one
InChI:
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key:
WINXNKPZLFISPD-UHFFFAOYSA-M
SMILES:
O=C1[N-]S(=O)(=O)c2c1cccc2.[Na+]
UNII:
I4807BK602
FEMA Number:
2997
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.163g/mol
Monoisotopic Mass:
204.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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