AG00GSYT

871329-83-8 | 4-Ethoxy-3-(trifluoromethyl)benzeneboronic acid

AG00GSYT

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CAS Number	871329-83-8
Catalog Number	AG00GSYT(AGN-PC-0VB2OK)
Chemical Name	4-Ethoxy-3-(trifluoromethyl)benzeneboronic acid
IUPAC Name	[4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(10(14)15)5-7(8)9(11,12)13/h3-5,14-15H,2H2,1H3
InChI Key	SHCPXHBLEGXHIV-UHFFFAOYSA-N
MDL Number	MFCD07363789
Molecular Formula	C9H10BF3O3
Molecular Weight	233.9801
SMILES	B(c1ccc(c(c1)C(F)(F)F)OCC)(O)O
Synonyms	871329-83-8, 4-ETHOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 4-ETHOXY-3-TRIFLUOROMETHYLPHENYLBORONIC ACID, 3-Borono-6-ethoxybenzotrifluoride, 4-ETHOXY-3-(TRIFLUOROMETHYL)BENZENEBORONIC ACID, (4-Ethoxy-3-trifluoromethylphenyl)boronic acid, [4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid, MFCD07363789, (4-ethoxy-3-(trifluoromethyl)phenyl)boronic acid, ACMC-209qgq, 2-ethoxy-3-(trifluoromethyl)-phenylboronicacid, SCHEMBL3113375, CTK4G6930, KS-00000MLF, DTXSID00659395, SHCPXHBLEGXHIV-UHFFFAOYSA-N, ZX-AP006772, ANW-38568, CE-266, PC1773, SBB071261, AKOS015838839, ZINC169745373, AB30773, RL05415, RTR-013335, VB10265, ACM313545390, AK-45515, BC001247, CC-00684, DS-13611, SC-53759, AX8006574, DB-028859, TR-013335, FT-0084910, FT-0644982, ST24043688, (4-Ethoxy-3-trifluoromethylphenyl)boronicacid, 4-ethoxy-3-trifluoromethyl-phenyl boronic acid, B-4385, A820812, A841995, C-13739, I04-0785, J-515261, J-515268, Boronic acid,B-[4-ethoxy-3-(trifluoromethyl)phenyl]-, 4-Ethoxy-3-(trifluoromethyl)benzeneboronic acid, AldrichCPR, 4-Ethoxy-2-(trifluoromethyl)phenylboronic acid, 4-ETHOXY-3- BENZENEBORONICACID, 313545-39-0, (4-Ethoxy-2-(trifluoromethyl)phenyl)boronic acid, 4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.068g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.981g/mol
Monoisotopic Mass	234.068g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number