AG00GYEL

925921-29-5 | (5-(Tert-Butoxycarbonyl)Thiophen-2-Yl)Boronic Acid

AG00GYEL

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CAS Number	925921-29-5
Catalog Number	AG00GYEL(AGN-PC-09TA1V)
Chemical Name	(5-(Tert-Butoxycarbonyl)Thiophen-2-Yl)Boronic Acid
IUPAC Name	[5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]boronic acid
InChI	InChI=1S/C9H13BO4S/c1-9(2,3)14-8(11)6-4-5-7(15-6)10(12)13/h4-5,12-13H,1-3H3
InChI Key	LKQDOTUUIDJQFS-UHFFFAOYSA-N
MDL Number	MFCD09952055
Molecular Formula	C9H13BO4S
Molecular Weight	228.0731
SMILES	O=C(C1=CC=C(B(O)O)S1)OC(C)(C)C
Synonyms	925921-29-5, (5-(tert-Butoxycarbonyl)thiophen-2-yl)boronic acid, 5-TERT-BUTOXYCARBONYLTHIOPHENE-2-BORONIC ACID, 5-(tert-butoxycarbonyl)thiophen-2-ylboronic acid, [5-(tert-Butoxycarbonyl)thiophen-2-yl]boronic acid, ACMC-209rgg, SCHEMBL14100228, CTK5H1449, DTXSID20701209, LKQDOTUUIDJQFS-UHFFFAOYSA-N, ANW-39854, AKOS016001022, ZINC169955090, RL05831, 5-BOC-THIOPHENE-2-BORONIC ACID, OR361612, AX8107391, TC-128599, 4CH-004705, FT-0737418, V9187, A-9267, A844284, J-516405, [5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenyl]boronic acid, [5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]boronic acid, C9H13BO4S,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.069g/mol
Monoisotopic Mass	228.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95A^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

Certificate of Analysis

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