AG008SIP

1073353-68-0 | 2-Fluoro-4-Trifluoromethylphenylboronic Acid, Pinacol Ester

AG008SIP

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CAS Number	1073353-68-0
Catalog Number	AG008SIP(AGN-PC-01LR1B)
Chemical Name	2-Fluoro-4-Trifluoromethylphenylboronic Acid, Pinacol Ester
IUPAC Name	2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H15BF4O2/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h5-7H,1-4H3
InChI Key	ZXEYGQNXUCXTBK-UHFFFAOYSA-N
MDL Number	MFCD08458187
Molecular Formula	C13H15BF4O2
Molecular Weight	290.0616
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(C(F)(F)F)C=C2F)O1
Synonyms	1073353-68-0, 2-(2-Fluoro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-FLUORO-4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER, 2-Fluoro-4-trifluoromethylphenylboronic acid pinacol ester, 2-Fluoro-4-(trifluoromethy)lphenylboronic acid pinacol ester, 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SCHEMBL4108381, CTK8B3634, DTXSID90590384, ZXEYGQNXUCXTBK-UHFFFAOYSA-N, BM537, ZXBA000417, ANW-42851, MFCD08458187, AKOS015960186, ZINC169745632, FCH2819767, MB06238, RTR-001712, AK-94665, DS-17993, PC412493, AX8209285, TR-001712, CS-0041138, ST24027474, A-4805, J-001804, (2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 2-Fluoro-4-trifluoromethylphenylboronic acid pinacol ester, AldrichCPR, 2-(2-Fluoro-4-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.11g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.065g/mol
Monoisotopic Mass	290.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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