AG003NNI

4545-21-5 | Acetophenone tosylhydrazone

AG003NNI

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CAS Number	4545-21-5
Catalog Number	AG003NNI(AGN-PC-0JP3AJ)
Chemical Name	Acetophenone tosylhydrazone
IUPAC Name	4-methyl-N-(1-phenylethylideneamino)benzenesulfonamide
InChI	InChI=1S/C15H16N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11,17H,1-2H3
InChI Key	MIXFDFCKBMCLGN-UHFFFAOYSA-N
MDL Number	MFCD01140191
Molecular Formula	C15H16N2O2S
Molecular Weight	288.3647
SMILES	C/C(C1=CC=CC=C1)=NNS(=O)(C2=CC=C(C)C=C2)=O
Synonyms	4545-21-5, Acetophenone p-Toluenesulfonylhydrazone, 4-methyl-N-(1-phenylethylideneamino)benzenesulfonamide, Acetophenone tosylhydrazone, 4-methyl-n'-(1-phenylethylidene)benzenesulfonohydrazide, MLS002919908, ACMC-1AHHT, AC1L5MVX, acetophenone N-tosylhydrazone, CBDivE_013624, CHEMBL3559940, CTK1D7512, DTXSID10298916, ANW-30281, ZINC254623962, MCULE-5860302519, VZ31192, SMR001797507, FT-0635355, A826804, 4-Methyl-N'-(1-phenylethylidene)benzene-1-sulfonohydrazide, Benzenesulfonic acid, 4-methyl-, (1-phenylethylidene)hydrazide, ACETOPHENONETOSYLHYDRAZONE, CID277864, NSC126912, A2174,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.093g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	288.365g/mol
Monoisotopic Mass	288.093g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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