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89538-99-8 | Benzoic acid, 4-[S-fluoro-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-
CAS No: 89538-99-8 Catalog No: AG0040JQ MDL No:
Product Description
Catalog Number:
AG0040JQ
Chemical Name:
Benzoic acid, 4-[S-fluoro-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-
CAS Number:
89538-99-8
Molecular Formula:
C14H12FNO5S2
Molecular Weight:
357.3772
IUPAC Name:
4-[S-fluoro-N-(4-methylphenyl)sulfonylsulfonimidoyl]benzoic acid
InChI:
InChI=1S/C14H12FNO5S2/c1-10-2-6-13(7-3-10)23(20,21)16-22(15,19)12-8-4-11(5-9-12)14(17)18/h2-9H,1H3,(H,17,18)
InChI Key:
BOXASDAMCFXOHS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N=S(=O)(c1ccc(cc1)C(=O)O)F
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.014g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.37g/mol
Monoisotopic Mass:
357.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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