AG00IIIK

947533-94-0 | 4-Methyl-3-trifluoromethyl-phenylboronic acid

AG00IIIK

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CAS Number	947533-94-0
Catalog Number	AG00IIIK(AGN-PC-0WAAKF)
Chemical Name	4-Methyl-3-trifluoromethyl-phenylboronic acid
IUPAC Name	[4-methyl-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O2/c1-5-2-3-6(9(13)14)4-7(5)8(10,11)12/h2-4,13-14H,1H3
InChI Key	LXQGVSGCAAPNEL-UHFFFAOYSA-N
MDL Number	MFCD11042431
Molecular Formula	C8H8BF3O2
Molecular Weight	203.9541
SMILES	FC(C1=CC(B(O)O)=CC=C1C)(F)F
Synonyms	947533-94-0, (4-Methyl-3-(trifluoromethyl)phenyl)boronic acid, 4-METHYL-3-TRIFLUOROMETHYL-PHENYLBORONIC ACID, 4-methyl-3-(trifluoromethyl)phenylboronic acid, [4-methyl-3-(trifluoromethyl)phenyl]boronic acid, SCHEMBL643868, CTK5H7067, DTXSID00669636, LXQGVSGCAAPNEL-UHFFFAOYSA-N, KS-00000IH0, MFCD11042431, AKOS011049683, ZINC169748247, DS-5271, AK136030, 4-Methyl-3-trifluoromethylphenylboronic acid, FT-0710966, ST24034734, 4-Methyl-3-trifluoromethyl-phenylboronicacid,

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

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