AG006Y4D

480438-59-3 | (4-Fluoro-2-isopropoxyphenyl)boronic acid

AG006Y4D

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CAS Number	480438-59-3
Catalog Number	AG006Y4D(AGN-PC-00UQB0)
Chemical Name	(4-Fluoro-2-isopropoxyphenyl)boronic acid
IUPAC Name	(4-fluoro-2-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H12BFO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,12-13H,1-2H3
InChI Key	RSEFJQODCQCGRB-UHFFFAOYSA-N
MDL Number	MFCD00153994
Molecular Formula	C9H12BFO3
Molecular Weight	197.9992
SMILES	CC(C)OC1=C(C=CC(F)=C1)B(O)O
Synonyms	4-Fluoro-2-isopropoxyphenylboronic acid, 480438-59-3, (4-Fluoro-2-isopropoxyphenyl)boronic acid, MFCD06411287, [4-FLUORO-2-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID, ACMC-1APZ6, SCHEMBL2462591, CTK4J0588, DTXSID70584281, RSEFJQODCQCGRB-UHFFFAOYSA-N, ANW-30616, AKOS015853476, ZINC169747375, AB25194, RTR-017635, 4-fluoro-2-isopropoxybenzene boronic acid, BC001963, BP-20270, TR-054237, CS-0059267, ST24034684, X0845, B-8173, 4-FLUORO-2-ISOPROPOXYBENZENEBORONIC ACID, {4-Fluoro-2-[(propan-2-yl)oxy]phenyl}boronic acid, I04-2824, 4-FLUORO-2-[(PROP-2-YL)OXY]BENZENEBORONIC ACID, C9H12BFO3, (4-Fluoro-2-isopropoxyphenyl)boronicacid, 4-ETHOXY-N-[2-(ISOPENTYLOXY)BENZYL]ANILINE,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.086g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198g/mol
Monoisotopic Mass	198.086g/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	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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