AG003K1W

881381-12-0 | 2-Formylthiophene-4-boronic acid, pinacol ester

AG003K1W

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CAS Number	881381-12-0
Catalog Number	AG003K1W(AGN-PC-07XULY)
Chemical Name	2-Formylthiophene-4-boronic acid, pinacol ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
InChI	InChI=1S/C11H15BO3S/c1-10(2)11(3,4)15-12(14-10)8-5-9(6-13)16-7-8/h5-7H,1-4H3
InChI Key	TWTLMECTLHOTSN-UHFFFAOYSA-N
MDL Number	MFCD12756464
Molecular Formula	C11H15BO3S
Molecular Weight	238.1110
SMILES	O=CC1=CC(B2OC(C)(C)C(C)(C)O2)=CS1
Synonyms	881381-12-0, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde, 2-Formylthiophene-4-boronic acid pinacol ester, 2-Formylthiophene-4-boronic acid, pinacol ester, AK-89262, AMTB826, SCHEMBL551550, CTK8B7096, KS-00000QQW, DTXSID30675366, TWTLMECTLHOTSN-UHFFFAOYSA-N, ANW-56358, MFCD12756464, AKOS016000285, ZINC169808071, AS-2855, FCH2806489, OR310486, AX8239706, TR-038146, FT-0763825, ST24042902, B-5391, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarbaldehyde, C11H15BO3S,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.083g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.108g/mol
Monoisotopic Mass	238.083g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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