AG006BSB

957061-14-2 | 5-Bromo-2-fluoro-4-methylphenylboronic acid

AG006BSB

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CAS Number	957061-14-2
Catalog Number	AG006BSB(AGN-PC-0W5CBU)
Chemical Name	5-Bromo-2-fluoro-4-methylphenylboronic acid
IUPAC Name	(5-bromo-2-fluoro-4-methylphenyl)boronic acid
InChI	InChI=1S/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
InChI Key	HTOASIJHHJJWRV-UHFFFAOYSA-N
MDL Number	MFCD09258744
Molecular Formula	C7H7BBrFO2
Molecular Weight	232.8427
SMILES	OB(C1=CC(Br)=C(C)C=C1F)O
Synonyms	5-Bromo-2-fluoro-4-methylphenylboronic acid, 957061-14-2, (5-bromo-2-fluoro-4-methylphenyl)boronic acid, 5-bromo-2-fluoro-4-methylbenzeneboronic acid, (5-bromo-2-fluoro-4-methyl-phenyl)boronic acid, 5-Bromo-2-fluoro-4-methylphenylboronicacid, ACMC-209s1p, CTK5H8017, KS-00000ASU, DTXSID50659401, ZX-AP009117, ANW-40619, MFCD09258744, PC7275, SBB071275, AKOS015833985, ZINC169747975, CB-1641, FCH1323665, RP28044, RTR-029913, VB10100, AN-26079, BC001276, CS-12063, SY036639, AB0043273, AX8166940, DB-029080, TR-029913, CS-0047543, FT-0657717, ST24044431, Z1178, MFCD09258744 (95%), A-4661, 061B142, A845398, I04-0805, J-516924, (5-bromanyl-2-fluoranyl-4-methyl-phenyl)boronic acid, BORONIC ACID, B-(5-BROMO-2-FLUORO-4-METHYLPHENYL)-, C7H7BBrFO2,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.971g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.843g/mol
Monoisotopic Mass	231.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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