AG007ENF

1073355-21-1 | 2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester

AG007ENF

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CAS Number	1073355-21-1
Catalog Number	AG007ENF(AGN-PC-07TCTP)
Chemical Name	2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-6-5-10(14(16,17)18)7-9(11)8-19/h5-7H,1-4H3
InChI Key	OINNEFWMBQNRSL-UHFFFAOYSA-N
MDL Number	MFCD09878539
Molecular Formula	C14H15BF3NO2
Molecular Weight	297.0806
SMILES	CC1(C)OB(OC1(C)C)C1=C(C=C(C=C1)C(F)(F)F)C#N
Synonyms	1073355-21-1, 2-CYANO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID PINACOL ESTER, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, SCHEMBL15011822, CTK8B3668, DTXSID10672873, ZX-AP011129, ANW-42921, MFCD09878539, PC4283, AKOS016004702, ZINC169809457, AB53938, RTR-001772, AK-84931, AS-49760, AX8236038, TR-001772, FT-0697280, X1603, A-4843, J-001869, 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, 3-Cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotrifluoride, C14H15BF3NO2, ACN-034297,

Complexity	439
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.115g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.084g/mol
Monoisotopic Mass	297.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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