AG003EXT

1073339-12-4 | 5-Bromo-2,3-difluorophenylboronic acid, pinacol ester

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CAS Number	1073339-12-4
Catalog Number	AG003EXT(AGN-PC-07TCUR)
Chemical Name	5-Bromo-2,3-difluorophenylboronic acid, pinacol ester
IUPAC Name	2-(5-bromo-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C12H14BBrF2O2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6H,1-4H3
InChI Key	PFZXDLSNBLEISL-UHFFFAOYSA-N
MDL Number	MFCD11855989
Molecular Formula	C12H14BBrF2O2
Molecular Weight	318.9502
SMILES	CC1(C)C(C)(C)OB(C2=CC(Br)=CC(F)=C2F)O1
Synonyms	1073339-12-4, 2-(5-BROMO-2,3-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 5-Bromo-2,3-difluorophenylboronic acid, pinacol ester, CTK8B2867, DTXSID00672887, ZX-AP009374, ANW-41215, MFCD11855989, PC5752, AKOS015999363, ZINC169746283, FCH2840235, RTR-001695, AX8230076, TR-001695, ST24021792, A-4630, J-001787, 5-Bromo-2,3-difluorophenylboronic acid,pinacol ester, 5-Bromo-2,3-difluorobenzeneboronic acid, pinacol ester 96%, 5-Bromo-2,3-difluorophenylboronic acid pinacol ester,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.024g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.953g/mol
Monoisotopic Mass	318.024g/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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