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NSC157598 N'-(4-bromophenyl)-3-nitrobenzenesulfonohydrazide,Canonical

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摘 要:NSC157598 N'-(4-bromophenyl)-3-nitrobenzenesulfonohydrazide,Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)NNC2=CC=C(C=C2)Br)[N+](=O)[O-],InChI: InChI=1/C12H10BrN3O4S/c13-9-4-6-10(7-5-9)14-15-21(19,,20)12-3-1-2-11(8-12)16(17)18/h1-8,14-15H,Molecular Weight
[Synonyms]
NSC157598
[Structure]
NSC157598 N'-(4-bromophenyl)-3-nitrobenzenesulfonohydrazide,Canonical

[ Properties Computed from Structure]
Molecular Weight372.1945 [g/mol]
Molecular FormulaC12H10BrN3O4S
XLogP3.9
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count4
Exact Mass370.957539
MonoIsotopic Mass370.957539
Topological Polar Surface Area101
Heavy Atom Count21
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N'-(4-bromophenyl)-3-nitrobenzenesulfonohydrazide
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)NNC2=CC=C(C=C2)Br)[N+](=O)[O-]
InChI: InChI=1/C12H10BrN3O4S/c13-9-4-6-10(7-5-9)14-15-21(19,
20)12-3-1-2-11(8-12)16(17)18/h1-8,14-15H

 
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