AG0036B7

874290-99-0 | 1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

AG0036B7

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CAS Number	874290-99-0
Catalog Number	AG0036B7(AGN-PC-01LR20)
Chemical Name	1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
IUPAC Name	1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI	InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)
InChI Key	MRHQTDZUJNAZGQ-UHFFFAOYSA-N
MDL Number	MFCD06795684
Molecular Formula	C14H21BN2O3
Molecular Weight	276.1391
SMILES	O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NC
Synonyms	874290-99-0, 1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea, 4-(3-Methylureido)phenylboronic acid, pinacol ester, 4-(3-Methylureido)benzeneboronic acid, pinacol ester, 4-(3-Methylureido)phenylboronic acid pinacol ester, (4-(3-METHYLUREIDO)PHENYL)BORONIC ACID PINACOL ESTER, 3-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, MFCD06795684, 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, N-Methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, 1-methyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea, SCHEMBL441861, 4-(3-Methylureido)benzeneboronic acid pinacol ester, CTK8B3419, DTXSID30590404, MRHQTDZUJNAZGQ-UHFFFAOYSA-N, BM381, KS-000019DO, ANW-42490, AKOS015999795, ZINC169745898, AB29251, RTR-027465, AM804463, AS-39509, TR-027465, CS-0036268, FT-0688859, ST24021342, B-4069, 4 - (3 - Methylureido)phenylboronic acid pinacol ester, 4-(3-METHYLUREIDO)PHENYLBORONIC ACID,PINACOL ESTER, 4-[(Methylcarbamoyl)amino]benzeneboronic acid pinacol ester, 4-[(methylcarbamoyl)amino]benzeneboronic acid, pinacol ester 95%, 1-methyl-3-[4-(4, 4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea, 1-methyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]urea, 1-METHYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)PHENYL]-UREA, Urea,N-methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, ACN-042903, 1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.165g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	276.143g/mol
Monoisotopic Mass	276.165g/mol
Rotatable Bond Count	2
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	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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