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82199-10-8 | 2-Benzothiazolamine, 6-nitro-, sulfate (1:1)
CAS No: 82199-10-8 Catalog No: AG005HW8 MDL No:
Product Description
Catalog Number:
AG005HW8
Chemical Name:
2-Benzothiazolamine, 6-nitro-, sulfate (1:1)
CAS Number:
82199-10-8
Molecular Formula:
C7H7N3O6S2
Molecular Weight:
293.2770
IUPAC Name:
6-nitro-1,3-benzothiazol-2-amine;sulfuric acid
InChI:
InChI=1S/C7H5N3O2S.H2O4S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7;1-5(2,3)4/h1-3H,(H2,8,9);(H2,1,2,3,4)
InChI Key:
SUGVKUPPWZVFDN-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.978g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.268g/mol
Monoisotopic Mass:
292.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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