AG00HI47

1251459-71-8 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole

AG00HI47

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CAS Number	1251459-71-8
Catalog Number	AG00HI47(AGN-PC-0WB84L)
Chemical Name	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole
InChI	InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-11-14-6-7/h5-6H,1-4H3
InChI Key	IBFHUXAMFFTLKO-UHFFFAOYSA-N
MDL Number	MFCD17677239
Molecular Formula	C9H14BNO2S
Molecular Weight	211.0890
SMILES	CC1(OB(OC1(C)C)C=1C=NSC1)C
Synonyms	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole, 1251459-71-8, SCHEMBL15650679, ALBB-031023, 2472AJ, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole, MFCD17677239, SBB074235, STL433213, AKOS016347699, ZINC198055046, MCULE-3995363492, Isothiazole-4-boronic acid pinacol ester, DA-13573, FT-0709057, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole, Isothiazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, C9H14BNO2S,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.084g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.086g/mol
Monoisotopic Mass	211.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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