AG008DGF

874291-00-6 | 4-(3-Ethylureido)phenylboronic acid, pinacol ester

AG008DGF

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CAS Number	874291-00-6
Catalog Number	AG008DGF(AGN-PC-07138N)
Chemical Name	4-(3-Ethylureido)phenylboronic acid, pinacol ester
IUPAC Name	1-ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI	InChI=1S/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-11(8-10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19)
InChI Key	BYHDTZHNPIWVOP-UHFFFAOYSA-N
MDL Number	MFCD08689523
Molecular Formula	C15H23BN2O3
Molecular Weight	290.1657
SMILES	CC1(C)OB(OC1(C)C)c1ccc(cc1)NC(=O)NCC
Synonyms	874291-00-6, 1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea, 4-(3-Ethylureido)benzeneboronic acid, pinacol ester, 1-Ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, 4-(3-Ethylureido)phenylboronic acid, pinacol ester, J-504601, 4-[(Ethylcarbamoyl)amino]benzeneboronic acid, pinacol ester, SCHEMBL118986, CTK8B3285, DTXSID10657185, BYHDTZHNPIWVOP-UHFFFAOYSA-N, KS-000019DT, ZX-AT010132, ANW-42201, MFCD08689523, OR3452, AKOS015999487, ZINC169745895, PS-9682, RP06732, RTX-011946, AM804464, DA-17712, AX8230854, CS-0007814, FT-0688855, ST24021314, Y4426, B-4070, 4-(3-Ethylureido)phenylboronic acidpinacol ester, 4-(3-ethylureido)phenylboronic acid pinacol ester, 4-(3-ethylureido)phenyl boronic acid pinacol ester, (4-(3-ETHYLUREIDO)PHENYL)BORONIC ACID PINACOL ESTER, 3-ethyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, 1-Ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]urea, N-Ethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, Urea,N-ethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, C15H23BN2O3, ACN-042887, 874290-99-0,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.18g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	290.17g/mol
Monoisotopic Mass	290.18g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.6A^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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