AG003BLF

36155-74-5 | (2-Acetylthiophen-3-yl)boronic acid

AG003BLF

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CAS Number	36155-74-5
Catalog Number	AG003BLF(AGN-PC-07XUK8)
Chemical Name	(2-Acetylthiophen-3-yl)boronic acid
IUPAC Name	(2-acetylthiophen-3-yl)boronic acid
InChI	InChI=1S/C6H7BO3S/c1-4(8)6-5(7(9)10)2-3-11-6/h2-3,9-10H,1H3
InChI Key	QTGPYSQUEPGBHV-UHFFFAOYSA-N
MDL Number	MFCD01318932
Molecular Formula	C6H7BO3S
Molecular Weight	169.9940
SMILES	O=C(C1=C(B(O)O)C=CS1)C
Synonyms	(2-Acetylthiophen-3-yl)boronic acid, 36155-74-5, 2-ACETYL-3-THIENYLBORONIC ACID, 2-Acetyl-3-thiopheneboronic acid, ACMC-209ilb, SCHEMBL3783766, CTK4H6005, DTXSID90675307, QTGPYSQUEPGBHV-UHFFFAOYSA-N, ANW-28365, MFCD01318932, AKOS015837768, ZINC169748095, FCH1122395, BC001468, OR360242, AX8250313, TR-014861, FT-0762141, ST24033801, X0744, A-3668, I04-1978, C6H7BO3S, (2-acetyl-3-thienyl)Boronic acid,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.021g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.989g/mol
Monoisotopic Mass	170.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85.8A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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