AG003BRC

352534-84-0 | 3-BROMO-2-FLUORO-2-ISOPROPOXYPHENYL-

AG003BRC

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CAS Number	352534-84-0
Catalog Number	AG003BRC(AGN-PC-00UQ7C)
Chemical Name	3-BROMO-2-FLUORO-2-ISOPROPOXYPHENYL-
IUPAC Name	(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H11BBrFO3/c1-5(2)15-9-7(10(13)14)3-6(12)4-8(9)11/h3-5,13-14H,1-2H3
InChI Key	QPUAAHCYYDGERH-UHFFFAOYSA-N
MDL Number	MFCD06798051
Molecular Formula	C9H11BBrFO3
Molecular Weight	276.8952
SMILES	BrC1=CC(=CC(=C1OC(C)C)B(O)O)F
Synonyms	352534-84-0, 3-Bromo-5-fluoro-2-isopropoxyphenylboronic acid, (3-Bromo-5-fluoro-2-isopropoxyphenyl)boronic acid, ACMC-209if4, SCHEMBL9893727, CTK4H4083, DTXSID60584230, ANW-28142, MFCD06798051, AKOS015834066, ZINC169747921, AB29774, RTR-014589, ACM352534840, BC001841, PC412075, AX8217964, ST24034324, X1353, Q-7189, (3-Bromo-5-fluoro-2-isopropoxy-phenyl)boronic acid, I04-1794, (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)boronic acid, {3-Bromo-5-fluoro-2-[(propan-2-yl)oxy]phenyl}boronic acid, Boronic acid,[3-bromo-5-fluoro-2-(1-methylethoxy)phenyl]- (9CI), C9H11BBrFO3, (3-Bromo-5-fluoro-2-isopropoxyphenyl)boronicacid,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.997g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	276.896g/mol
Monoisotopic Mass	275.997g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number