AG004TVF

871332-82-0 | 3-(N,N-Diethylaminocarbonyl)-5-nitrophenylboronic acid

AG004TVF

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CAS Number	871332-82-0
Catalog Number	AG004TVF(AGN-PC-0VB2GD)
Chemical Name	3-(N,N-Diethylaminocarbonyl)-5-nitrophenylboronic acid
IUPAC Name	[3-(diethylcarbamoyl)-5-nitrophenyl]boronic acid
InChI	InChI=1S/C11H15BN2O5/c1-3-13(4-2)11(15)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,3-4H2,1-2H3
InChI Key	BSSTYJYXCIVGHB-UHFFFAOYSA-N
MDL Number	MFCD07783874
Molecular Formula	C11H15BN2O5
Molecular Weight	266.0582
SMILES	O=[N+](C1=CC(C(N(CC)CC)=O)=CC(B(O)O)=C1)[O-]
Synonyms	871332-82-0, (3-(Diethylcarbamoyl)-5-nitrophenyl)boronic acid, 3-(diethylcarbamoyl)-5-nitrophenylboronic acid, 3-(N,N-Diethylaminocarbonyl)-5-nitrophenylboronic acid, Boronic acid,B-[3-[(diethylamino)carbonyl]-5-nitrophenyl]-, [3-(diethylcarbamoyl)-5-nitrophenyl]boronic acid, ACMC-209qhc, CTK5F7952, DTXSID70657444, ZX-AT010069, ANW-38590, MFCD07783874, OR9434, AKOS015838651, ZINC169744976, CD-1878, RTR-027254, VB10587, CC-12644, AX8013294, DB-021712, TR-027254, 3-Diethylcarbamoyl-5-nitrophenylboronic acid, FT-0644986, ST24026205, V8373, 3-(Diethylcarbamoyl)-5-nitrobenzeneboronic acid, B-4193, [3-(diethylcarbamoyl)-5-nitro-phenyl]boronic acid, A842002, C-16650, I04-2089, [3-[diethylamino(oxo)methyl]-5-nitrophenyl]boronic acid, C11H15BN2O5, 3- -5-NITROPHENYLBORONICACID, ACN-042690, 3-Diethylcarbamoyl-5-nitrobenzeneboronic acid, (3-(Diethylcarbamoyl)-5-nitrophenyl)boronicacid,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.107g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	266.06g/mol
Monoisotopic Mass	266.107g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	107A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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