AG000YVR

129112-21-6 | 2-(N,N-Diethylaminocarbonyl)phenylboronic acid

AG000YVR

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CAS Number	129112-21-6
Catalog Number	AG000YVR(AGN-PC-0L6X9P)
Chemical Name	2-(N,N-Diethylaminocarbonyl)phenylboronic acid
IUPAC Name	[2-(diethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChI Key	TULUDWZVHWOWHZ-UHFFFAOYSA-N
MDL Number	MFCD01318988
Molecular Formula	C11H16BNO3
Molecular Weight	221.0606
SMILES	O=C(C1=CC=CC=C1B(O)O)N(CC)CC
Synonyms	129112-21-6, (2-(Diethylcarbamoyl)phenyl)boronic acid, 2-(N,N-Diethylaminocarbonyl)phenylboronic acid, [2-(diethylcarbamoyl)phenyl]boronic Acid, 2-(diethylcarbamoyl)phenylboronic acid, 2-(Diethylcarbamoyl)benzeneboronic acid, Boronic acid, [2-[(diethylamino)carbonyl]phenyl]-, ACMC-1BWVF, AC1N57EX, 2-(DIETHYLAMINO)CARBONYLBENZENEBORONIC ACID, SCHEMBL521053, N,N-Diethyl 2-boronobenzamide, CTK0H3987, DTXSID40400580, TULUDWZVHWOWHZ-UHFFFAOYSA-N, ZX-AT009974, ANW-19104, MFCD01318988, OR7197, AKOS015838653, ZINC169745412, AB08799, RTR-004046, AX8063341, ST2414144, TR-004046, X0510, B-2455, [2-(N,N-Diethylaminocarbonyl)phenyl]boronic acid, Boronicacid,b-[2-[(diethylamino)carbonyl]phenyl]-, Boronicacid, B-[2-[(diethylamino)carbonyl]phenyl]-, I04-2088, Boronic acid, B-[2-[(diethylamino)carbonyl]phenyl]-, C11H16BNO3, ACN-042683, CID4190636,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.122g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.063g/mol
Monoisotopic Mass	221.122g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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