AG007PXU

1204745-88-9 | 3,4-Bis(trifluoromethyl) phenylboronic acid

AG007PXU

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CAS Number	1204745-88-9
Catalog Number	AG007PXU(AGN-PC-09MP1A)
Chemical Name	3,4-Bis(trifluoromethyl) phenylboronic acid
IUPAC Name	[3,4-bis(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H5BF6O2/c10-7(11,12)5-2-1-4(9(16)17)3-6(5)8(13,14)15/h1-3,16-17H
InChI Key	GIZQTQOXIWPFOA-UHFFFAOYSA-N
MDL Number	MFCD11617946
Molecular Formula	C8H5BF6O2
Molecular Weight	257.9255
SMILES	OB(C1=CC=C(C(F)(F)F)C(C(F)(F)F)=C1)O
Synonyms	1204745-88-9, 3,4-Bis(trifluoromethyl)phenylboronic acid, (3,4-BIS(TRIFLUOROMETHYL)PHENYL)BORONIC ACID, 3,4-Bis(trifluoromethyl) Phenylboronic acid, [3,4-bis(trifluoromethyl)phenyl]boronic acid, SCHEMBL3789433, CTK8B4487, DTXSID10680690, ANW-45259, MFCD11617946, AKOS015919947, ZINC169746897, AS04990, AK-37379, AS-30579, BC000925, BR-37379, PC412017, AB0035143, AX8042276, ST2417229, TC-134004, X9426, S-3882, 3,4-Bis(trifluoromethyl) phenylboronic acid, 96%, C8H5BF6O2, 3,4-Bis(trifluoromethyl)phenylboronicacid, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.029g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.926g/mol
Monoisotopic Mass	258.029g/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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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