AG005JB4

765917-27-9 | 4-chloro-2-fluorophenylboronic aicd, pinacol ester

AG005JB4

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CAS Number	765917-27-9
Catalog Number	AG005JB4(AGN-PC-03N6M2)
Chemical Name	4-chloro-2-fluorophenylboronic aicd, pinacol ester
IUPAC Name	2-(4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C12H15BClFO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,1-4H3
InChI Key	HWHYSIMGKXYKDS-UHFFFAOYSA-N
MDL Number	MFCD18729919
Molecular Formula	C12H15BClFO2
Molecular Weight	256.5087
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(Cl)C=C2F)O1
Synonyms	765917-27-9, 2-(4-Chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Chloro-2-fluorophenylboronic acid pinacol ester, 4-Chloro-2-fluorophenylboronic aicd, pinacol ester, 1,3,2-Dioxaborolane, 2-(4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-, SCHEMBL2355702, CTK8B6295, DTXSID60624160, HWHYSIMGKXYKDS-UHFFFAOYSA-N, ANW-53237, MFCD18729919, AKOS015999646, ZINC169955824, TC-141982, 2-(4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.084g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.508g/mol
Monoisotopic Mass	256.084g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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