AG000O76

1256359-27-9 | Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-

AG000O76

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CAS Number	1256359-27-9
Catalog Number	AG000O76(AGN-PC-0WA628)
Chemical Name	Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline
InChI	InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-6-5-8(7-10(9)18)19-13(15,16)17/h5-7H,18H2,1-4H3
InChI Key	AEAKBFSIFAZERW-UHFFFAOYSA-N
MDL Number	MFCD16618968
Molecular Formula	C13H17BF3NO3
Molecular Weight	303.0852
SMILES	NC1=CC(OC(F)(F)F)=CC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	1256359-27-9, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline, 2-Amino-4-trifluoromethoxyphenylboronic acid pinacol ester, CTK8C1185, DTXSID70682251, ANW-66026, MFCD16618968, AKOS016004705, ZINC169936036, PC412225, AX8236217, TR-035394, CS-0084337, X0434, A-3774, Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-, C13H17BF3NO3, AEAKBFSIFAZERW-UHFFFAOYSA-N,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.125g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	303.088g/mol
Monoisotopic Mass	303.125g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.7A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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