AC1L9IW2 structure

AC1L9IW2

3-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid

Also Known As: 3-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid|3-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride|Sulfuric acid--3-({[(3-chloro-4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)

CAS: 25288-33-9
Molecular Formula C25H22Cl3FN6O8S2
Molecular Weight 721.999 g/mol
LogP 5.1743
Topological Polar Surface Area 254.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
Rotatable Bonds 8
Exact Mass 721.999
Monoisotopic Mass 721.999
Heavy Atoms 45
Complexity 1030.0

Chemical Identifiers

CAS Number 25288-33-9
SMILES C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=CC(=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)Cl.OS(=O)(=O)O
InChIKey ZJFSRRBMHXPQSD-UHFFFAOYSA-N

Product Overview

AC1L9IW2 (CAS 25288-33-9), with molecular formula C25H22Cl3FN6O8S2 and molecular weight 721.999 g/mol. IUPAC: 3-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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