ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate

ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate

CAS: 84806-27-9

Formula: C6H6FN3O4S

SMILES: [NH4+].[O-]S(=O)(=O)C1=CC=C(F)C2=NON=C12

IUPAC: ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate

InChI: InChI=1S/C6H3FN2O4S.H3N/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6;/h1-2H,(H,10,11,12);1H3

Composition: C (30.64%), H (2.57%), F (8.08%), N (17.87%), O (27.21%), S (13.63%)

Molar Mass: 235.19

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.006305022
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	JXLHNMVSKXFWAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.85
Topological Polar Surface Area	96.12
Polarizability	17.44
Ring Count	2
Rotatable Bond Count	1

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