AG006V4Q

237413-05-7 | (3-(Diethylcarbamoyl)phenyl)boronic acid

AG006V4Q

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CAS Number	237413-05-7
Catalog Number	AG006V4Q(AGN-PC-0KZ653)
Chemical Name	(3-(Diethylcarbamoyl)phenyl)boronic acid
IUPAC Name	[3-(diethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChI Key	DDHUSSNOKNYLAI-UHFFFAOYSA-N
MDL Number	MFCD04115684
Molecular Formula	C11H16BNO3
Molecular Weight	221.0606
SMILES	O=C(C1=CC(B(O)O)=CC=C1)N(CC)CC
Synonyms	237413-05-7, 3-(N,N-Diethylaminocarbonyl)phenylboronic acid, (3-(Diethylcarbamoyl)phenyl)boronic acid, 3-(diethylcarbamoyl)phenylboronic acid, [3-(diethylcarbamoyl)phenyl]boronic Acid, N,N-Diethyl 3-boronobenzamide, MFCD04115684, 3-(DIETHYLAMINOCARBONYL)PHENYLBORONIC ACID, Boronic acid,B-[3-[(diethylamino)carbonyl]phenyl]-, AC1MWGCS, ACMC-1CBV9, SCHEMBL1771787, CTK4F2148, DTXSID80395547, DDHUSSNOKNYLAI-UHFFFAOYSA-N, ANW-25207, AKOS015838652, ZINC169745072, AB20391, PS-9606, RTR-011002, VB10592, N,N-Diethyl-3-(dihydroxyboryl)benzamide, BC000279, AB0029207, DB-015982, ST2402303, TR-011002, FT-0644084, X1347, B-8060, [3-[diethylamino(oxo)methyl]phenyl]boronic acid, 3-(DIETHYLCARBAMOYL)BENZENE BORONIC ACID, A816878, I04-2090, 3-(N,N-diethylaminocarbonyl)phenylboronic acid, AldrichCPR, B-[3-[(DIETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID, C11H16BNO3, 3-(Diethylcarbamoyl)benzeneboronic acid, ACN-042684, CID3723673,

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

Certificate of Analysis

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