AG003D3G

74257-00-4 | 1-(Mesitylsulfonyl)-3-nitro-1H-1,2,4-triazole

AG003D3G

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CAS Number	74257-00-4
Catalog Number	AG003D3G(AGN-PC-0JVDGH)
Chemical Name	1-(Mesitylsulfonyl)-3-nitro-1H-1,2,4-triazole
IUPAC Name	3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
InChI	InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18,19)14-6-12-11(13-14)15(16)17/h4-6H,1-3H3
InChI Key	SFYDWLYPIXHPML-UHFFFAOYSA-N
MDL Number	MFCD09751282
Molecular Formula	C11H12N4O4S
Molecular Weight	296.3024
SMILES	O=[N+](C1=NN(S(=O)(C(C(C)=CC(C)=C2)=C2C)=O)C=N1)[O-]
Synonyms	74257-00-4, 1-(mesitylsulfonyl)-3-nitro-1h-1,2,4-triazole, 1-(mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole, MSNT, 1-(mesitylene-2-sulfonyl)-3-nitro-1h-1,2,4-triazole, MFCD00009754, 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole, AK-26307, W-200562, 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole, C11H12N4O4S, 1-(2,4,6-Trimethylphenylsulfonyl)-3-nitro-1,2,4-triazole, (2,4,6-Trimethylphenyl)-(3-nitro-1,2,4-triazol-1-yl) sulfone, 3-nitro-1-(2,4,6-trimethylbenzenesulfonyl)-1H-1,2,4-triazole, 3-nitro-1-[(2,4,6-trimethylphenyl)sulfonyl]-1,2,4-triazole, 1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-trimethylphenyl)sulfonyl]-, 1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole, 98%, AC1LERKM, AC1Q5AY7, Oprea1_756023, KSC491C8B, SCHEMBL216889, CTK3J1180, KS-00000GAH, DTXSID00352036, SFYDWLYPIXHPML-UHFFFAOYSA-N, ZINC115199, ANW-57947, CM-507, SBB005917, AKOS015897342, CS-W012155, DS-2346, MCULE-1873942905, RL04820, RTR-023996, TRA0065718, AC-24879, AJ-11489, AN-37189, CC-02469, CJ-00839, SC-43963, ST025755, SY019061, AB0012925, AX8013108, DB-018665, TR-023996, FT-0605549, FT-0605834, FT-0605835, ST24032182, ST51006767, 1-mesitylenesulfonyl-3-nitro-1,2,4-triazole, MFCD00009754 (95%), M-1299, A838076, C-18558, 1-(Mesitylene-2-sulfonyl-3-nitro-1,2,4-triazole, 1-(mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole, MSNT1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,-triazole, 1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole(MSNT), 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole, 98%, 3-Nitro-1-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole, 3-Nitro-1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole, 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole, vial of 1.78 g (6 mmol), S-(-)-Carbidopa, 1- -3-nitro-1,2,4-triazole, KST-1B8328, AR-1B3050, CID716901, ZINC00115199, H199, 1-(Mesitylene-2-sulphonyl)-3-nitro-1,2,4-triazole, 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole, 98% - 1G 1g, 7505-92-2, 28860-95-9,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.058g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.301g/mol
Monoisotopic Mass	296.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number