AG006BKF

957346-54-2 | 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

AG006BKF

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CAS Number	957346-54-2
Catalog Number	AG006BKF(AGN-PC-0WA8MP)
Chemical Name	3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC Name	3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H2,16,17)
InChI Key	UKBHJXNAIHHVEH-UHFFFAOYSA-N
MDL Number	MFCD18732743
Molecular Formula	C13H17BFNO3
Molecular Weight	265.0884
SMILES	FC=1C=C(C(=O)N)C=CC1B1OC(C(O1)(C)C)(C)C
Synonyms	957346-54-2, 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, ACMC-209s4x, SCHEMBL1674267, CTK8B2763, DTXSID60736459, UKBHJXNAIHHVEH-UHFFFAOYSA-N, ANW-40735, MFCD18732743, AKOS024438896, ZINC169747282, FCH2751249, PC412484, TC-129480, V9837, B-8679, 3-Fluoro-4-(tetraMethyl-[1,3,2]dioxaborolan-2-yl)benzaMide, 3-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) benzamide, 3-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide, C13H17BFNO3,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.129g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.091g/mol
Monoisotopic Mass	265.129g/mol
Rotatable Bond Count	2
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	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code	\N

Certificate of Analysis

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