AG003828

1045809-78-6 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole

AG003828

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CAS Number	1045809-78-6
Catalog Number	AG003828(AGN-PC-015KME)
Chemical Name	5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole
IUPAC Name	5-(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)7-5-6-11-14-7/h5-6H,1-4H3
InChI Key	UPECZVDBUMIIIL-UHFFFAOYSA-N
MDL Number	MFCD08061126
Molecular Formula	C9H14BNO2S
Molecular Weight	211.0890
SMILES	CC1(OB(OC1(C)C)C1=CC=NS1)C
Synonyms	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole, 1045809-78-6, UPECZVDBUMIIIL-UHFFFAOYSA-N, Isothiazole-5-boronic acid pinacol ester, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole, PubChem18602, SCHEMBL1648288, CTK0G9282, DTXSID50587917, 1022AA, ANW-61635, MFCD08061126, SBB013829, STK689431, AKOS005602268, ZINC169809896, CS-W005323, MCULE-5436695909, RL00216, AS-30232, EN000940, isothiazol-5-ylboronic acid pinacol ester, SC-28395, ST081406, RT-024774, J-001197, J-516186, Isothiazole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaboro, Isothiazole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, C9H14BNO2S, 5,6,7,8-tetrahydronaphthalene-2-boronic acid, pinacol ester, 627526-54-9,

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 Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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