AG00909K

1073371-73-9 | 4-(Hydroxy(thiazol-2-yl)methyl)phenylboronic acid, pinacol ester

AG00909K

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CAS Number	1073371-73-9
Catalog Number	AG00909K(AGN-PC-07XU2A)
Chemical Name	4-(Hydroxy(thiazol-2-yl)methyl)phenylboronic acid, pinacol ester
IUPAC Name	[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
InChI	InChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13(19)14-18-9-10-22-14/h5-10,13,19H,1-4H3
InChI Key	WLBDZEXNSNOBAQ-UHFFFAOYSA-N
MDL Number	MFCD09953504
Molecular Formula	C16H20BNO3S
Molecular Weight	317.2109
SMILES	S1(C(=NC=C1)C(O)C3(=CC=C(B2(OC(C)(C)C(O2)(C)C))C=C3))
Synonyms	1073371-73-9, (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(thiazol-2-yl)methanol, 4-(Hydroxy(thiazol-2-yl)methyl)phenylboronic acid, pinacol ester, MFCD09953504, 4-[Hydroxy(2-thiazolyl)methyl]benzeneboronic acid pinacol ester, [4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiazol-2-yl-methanol, [4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl](1,3-thiazol-2-yl)methanol, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha-(2-thiazolyl)benzyl alcohol, AMTB064, CTK8B4044, DTXSID00674700, ZX-RL002598, ANW-43757, AKOS016001089, AS-2306, RTR-001775, KS-0000229V, OR303430, AX8239840, TR-001775, A-4845, J-001876, 4-(Hydroxy(thiazol-2-yl)methyl)phenylboronic acid pinacol ester, 4-(Hydroxy(thiazol-2-yl)methyl)phenylboronic acid,pinacol ester, 4-[Hydroxy(2-thiazolyl)methyl)]benzeneboronic acid pinacol ester, [alpha-(2-Thiazolyl)-4-(hydroxymethyl)]benzeneboronic acid pinacol ester, [4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL](1,3-THIAZOL-2-YL)METHANOL, C16H20BNO3S,

Complexity	383
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.126g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	317.21g/mol
Monoisotopic Mass	317.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	1
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

Certificate of Analysis

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