AC1L4S0M

2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid

Also Known As: 2,3,4,5-Tetrachloro-6-[[[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]oxy]phenyl]amino]carbonyl]benzoic acid|2,3,4,5-Tetrachloro-6-({3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)oxy]phenyl}carbamoyl)benzoic acid|2,3,4,5-tetrachloro-6-[(3-{[(heptadecafluorooctyl)sulfonyl]oxy}phenyl)carbamoyl]benzoic acid|2,3,4,5-tetrachloro-6-[[[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]oxy]phenyl]amino]carbonyl]-benzoic acid|2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid

Molecular Formula	C22H6Cl4F17NO6S
Molecular Weight	874.83984 g/mol
LogP	10.2
Topological Polar Surface Area	118.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	23
Rotatable Bonds	12
Exact Mass	874.83984
Monoisotopic Mass	874.83984
Heavy Atoms	51
Complexity	1430.0

Chemical Identifiers

CAS Number	57589-83-0
SMILES	C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O
InChIKey	MHLSLBDGGOWEJB-UHFFFAOYSA-N