AG001685

1218789-98-0 | 2-(2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl)Acetamide

AG001685

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CAS Number	1218789-98-0
Catalog Number	AG001685(AGN-PC-0WA57V)
Chemical Name	2-(2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl)Acetamide
IUPAC Name	2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI	InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H2,16,17)
InChI Key	CPFGCHYGAVWSDA-UHFFFAOYSA-N
MDL Number	MFCD12913986
Molecular Formula	C14H20BNO3
Molecular Weight	261.1245
SMILES	O=C(N)CC1=CC=CC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	1218789-98-0, 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, 2-(Aminocarbonylmethyl)phenylboronic acid, pinacol ester, 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide, CTK8B6462, DTXSID90675408, ANW-53494, MFCD12913986, AKOS015999309, ZINC169746359, FCH2809103, AX8230285, TR-034783, FT-0769389, ST24021649, A-3681, (2-(2-AMINO-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzeneacetamide, Benzeneacetamide, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, CPFGCHYGAVWSDA-UHFFFAOYSA-N, 2-(Aminocarbonylmethyl)phenylboronic acid,pinacol ester,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.154g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.128g/mol
Monoisotopic Mass	261.154g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.6A^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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