AG000O32

1256354-92-3 | Boronic acid, B-[2-fluoro-5-(1-methylethyl)phenyl]-

AG000O32

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CAS Number	1256354-92-3
Catalog Number	AG000O32(AGN-PC-09PZ1N)
Chemical Name	Boronic acid, B-[2-fluoro-5-(1-methylethyl)phenyl]-
IUPAC Name	(2-fluoro-5-propan-2-ylphenyl)boronic acid
InChI	InChI=1S/C9H12BFO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,12-13H,1-2H3
InChI Key	YXCUUQOHGRSVQC-UHFFFAOYSA-N
MDL Number	MFCD17015760
Molecular Formula	C9H12BFO2
Molecular Weight	181.9998
SMILES	CC(C)C1=CC(B(O)O)=C(F)C=C1
Synonyms	1256354-92-3, 2-FLUORO-5-ISOPROPYLPHENYLBORONIC ACID, (2-Fluoro-5-isopropylphenyl)boronic acid, ACMC-209axn, C9H12BFO2, SCHEMBL14120255, CTK4B4566, DTXSID80681694, ANW-18441, FCH925483, MFCD17015760, AKOS006335100, ZINC169934476, PC412198, AX8236165, TR-035224, X1889, [2-Fluoro-5-(propan-2-yl)phenyl]boronic acid, B-2798, I04-2768, Boronic acid, B-[2-fluoro-5-(1-methylethyl)phenyl]-,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.091g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.001g/mol
Monoisotopic Mass	182.091g/mol
Rotatable Bond Count	2
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-P305+P351+P338
UN Code

Certificate of Analysis

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