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4-bromo-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzenesulfonohydrazide

4-bromo-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzenesulfonohydrazide

CAS: 338968-39-1

Formula: C15H10BrF3N4O2S

SMILES: FC(F)(F)C1=NC2=CC=CC=C2N=C1NNS(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: 4-bromo-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzene-1-sulfonohydrazide

InChI: InChI=1S/C15H10BrF3N4O2S/c16-9-5-7-10(8-6-9)26(24,25)23-22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8,23H,(H,21,22)

Composition: C (40.28%), H (2.25%), Br (17.87%), F (12.74%), N (12.53%), O (7.15%), S (7.17%)

Molar Mass: 447.23

Atom Count: 36

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 445.965994
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CNVWLEXTKKFHGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.83
Topological Polar Surface Area 83.98
Polarizability 36.16
Ring Count 3
Rotatable Bond Count 4

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