AG004FYP

874291-02-8 | 4-(3-Isopropylureido)phenylboronic acid, pinacol ester

AG004FYP

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CAS Number	874291-02-8
Catalog Number	AG004FYP(AGN-PC-0VDJOV)
Chemical Name	4-(3-Isopropylureido)phenylboronic acid, pinacol ester
IUPAC Name	1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI	InChI=1S/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20)
InChI Key	GMMSXWMQBQDLFH-UHFFFAOYSA-N
MDL Number	MFCD08689517
Molecular Formula	C16H25BN2O3
Molecular Weight	304.1923
SMILES	O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NC(C)C
Synonyms	874291-02-8, 1-Isopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea, 4-(3-Isopropylureido)benzeneboronic acid, pinacol ester, J-504822, 4-(3-Isopropylureido)phenylboronic acid, pinacol ester, urea,N-(1-methylethy)-N-(4-(4,4,5,5,-Tetramethyl-1,3,2-dioxaborolan-2-yl)pheny), 1-Isopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, SCHEMBL441226, CTK8B3034, DTXSID50657184, GMMSXWMQBQDLFH-UHFFFAOYSA-N, ACT11289, ZX-AT010131, ANW-41651, MFCD08689517, OR3451, AKOS016001001, ZINC169745896, RP00039, RTR-027467, AS-55264, AX8239953, TR-027467, 4CH-003190, FT-0699124, Y6590, B-4072, 4-(3-Isopropylureido)phenylboronic acid pinacol ester, 4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester, 3-isopropyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, 3-(propan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, N-Propan-2-yl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, Urea,N-(1-methylethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, C16H25BN2O3, ACN-042893, 4-(3-Isopropylureido)benzeneboronic acid pinacol ester,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.196g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	304.197g/mol
Monoisotopic Mass	304.196g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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