AG000TF9

1268816-48-3 | 1H-Indazole, 5-(methylsulfonyl)-

AG000TF9

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CAS Number	1268816-48-3
Catalog Number	AG000TF9(AGN-PC-0HU3VI)
Chemical Name	1H-Indazole, 5-(methylsulfonyl)-
IUPAC Name	5-methylsulfonyl-1H-indazole
InChI	InChI=1S/C8H8N2O2S/c1-13(11,12)7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChI Key	VLCCXHFNVCNWPU-UHFFFAOYSA-N
MDL Number	MFCD13190321
Molecular Formula	C8H8N2O2S
Molecular Weight	196.2263
SMILES	O=S(C1=CC2=C(NN=C2)C=C1)(C)=O
Synonyms	5-(Methylsulfonyl)-1H-indazole, 1268816-48-3, 5-methylsulfonyl-1H-indazole, 1173999-87-5, W-204939, 5-Methanesulfonylindazole, SCHEMBL10179696, KS-00000DHH, VLCCXHFNVCNWPU-UHFFFAOYSA-N, MFCD13190321, ZINC90411789, AKOS027256756, AB70198, FCH1140883, RP04037, TRA0055289, CS-11808, SY030771, FT-0753753, Y7166, MFCD13190321 (95%), J-516368, C8H8N2O2S, 1H-Indazole, 5-(methylsulfonyl)-,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.224g/mol
Monoisotopic Mass	196.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number