AG0006TP

1021860-94-5 | 4-Methyl-2-(trifluoromethyl)phenylboronic acid

AG0006TP

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CAS Number	1021860-94-5
Catalog Number	AG0006TP(AGN-PC-0WAMOV)
Chemical Name	4-Methyl-2-(trifluoromethyl)phenylboronic acid
IUPAC Name	[4-methyl-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O2/c1-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key	KDOJXIIVCMNOSQ-UHFFFAOYSA-N
MDL Number	MFCD11616521
Molecular Formula	C8H8BF3O2
Molecular Weight	203.9541
SMILES	FC(C1=CC(C)=CC=C1B(O)O)(F)F
Synonyms	1021860-94-5, (4-Methyl-2-(trifluoromethyl)phenyl)boronic acid, 4-Methyl-2-trifluoromethyl-phenylboronic acid, 4-Methyl-2-(trifluoromethyl)phenylboronic acid, [4-methyl-2-(trifluoromethyl)phenyl]boronic acid, AK-56295, SCHEMBL3205095, KS-00000IGO, DTXSID80609595, KDOJXIIVCMNOSQ-UHFFFAOYSA-N, MFCD11616521, AKOS016846039, ZINC169747172, FCH1405540, DS-14994, AX8168771, ST2408039, 4-methyl-2-trifluoromethylphenylboronic acid, 4CH-016559, CS-0028763, (4-methyl-2-(trifluoromethyl)phenyl) boronic acid, Boronic acid, B-[4-methyl-2-(trifluoromethyl)phenyl]-,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.057g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.955g/mol
Monoisotopic Mass	204.057g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number