AG001HTA

1421252-90-5 | 1H-Indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AG001HTA

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CAS Number	1421252-90-5
Catalog Number	AG001HTA(AGN-PC-0WAMCR)
Chemical Name	1H-Indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name	3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
InChI	InChI=1S/C22H27BN2O4S/c1-14-8-11-17(12-9-14)30(26,27)25-18-13-10-15(2)20(19(18)16(3)24-25)23-28-21(4,5)22(6,7)29-23/h8-13H,1-7H3
InChI Key	GSMMFVZBZKAEIG-UHFFFAOYSA-N
MDL Number	MFCD28130306
Molecular Formula	C22H27BN2O4S
Molecular Weight	426.3368
SMILES	O=S(N1N=C(C)C2=C1C=CC(C)=C2B3OC(C)(C)C(C)(C)O3)(C4=CC=C(C)C=C4)=O
Synonyms	3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indazole, 1421252-90-5, AK174369, SCHEMBL14663121, GSMMFVZBZKAEIG-UHFFFAOYSA-N, MFCD28130306, AKOS025396461, ZINC204963708, CS-0054325, FT-0723766, 1H-Indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 3,5-Dimethyl-1-(4-methylbenzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-Dioxaborolan-2-yl)-1H-indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Indazole,

Complexity	729
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	426.178g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	426.338g/mol
Monoisotopic Mass	426.178g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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