AG00BDR0

268218-94-6 | 4-Benzoylbenzeneboronic acid

AG00BDR0

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CAS Number	268218-94-6
Catalog Number	AG00BDR0(AGN-PC-0L71H1)
Chemical Name	4-Benzoylbenzeneboronic acid
IUPAC Name	(4-benzoylphenyl)boronic acid
InChI	InChI=1S/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H
InChI Key	CWMIVCCXDVRXST-UHFFFAOYSA-N
MDL Number	MFCD05664212
Molecular Formula	C13H11BO3
Molecular Weight	226.0356
SMILES	C(=O)(c1ccc(cc1)B(O)O)c1ccccc1
Synonyms	268218-94-6, 4-Benzoylphenylboronic acid, (4-benzoylphenyl)boronic Acid, 4-Benzoylbenzeneboronic Acid, [4-(phenylcarbonyl)phenyl]boronic acid, Boronic acid, (4-benzoylphenyl)-, 4-(PHENYLCARBONYL)PHENYLBORONIC ACID, 4-Benzoylphenyl)boronic acid, ACMC-20aixu, p-benzoylphenylboronic acid, AC1N5M2I, 4-benzoyl phenylboronic acid, 4-benzoyl phenyl boronic acid, SCHEMBL306551, C13H11BO3, DTXSID50400697, CWMIVCCXDVRXST-UHFFFAOYSA-N, ZX-AT010261, 4-Benzoylphenylboronic acid >=95%, (P-BENZOYLPHENYL)BORONIC ACID, ANW-75472, CB-364, MFCD05664212, OR7150, 4-Benzoylphenylboronic acid, >=95%, AKOS004116285, ZINC169747957, AB22308, AM90082, GS-5629, LS10864, RTR-012089, TRA0032311, ACM268218946, AK-84204, BC005313, SC-84510, AX8094378, DB-067682, TL8007170, TR-053111, CS-0020127, FT-0698133, ST24034606, X0666, KS-00002649, B-8078, A818617, I04-2144, (4-Benzoylphenyl)boronicacid, 4-BENZOYLBENZENEBORONICACID, ACN-032738, CID4197235, 4-isothiocyanato-N-1,3-thiazol-2-ylbenzenesulfonamide, (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.08g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.038g/mol
Monoisotopic Mass	226.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^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

Lot Number