AG00CHO1

313545-39-0 | 4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID

AG00CHO1

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CAS Number	313545-39-0
Catalog Number	AG00CHO1(AGN-PC-03J8BO)
Chemical Name	4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
IUPAC Name	[4-ethoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C9H10BF3O3/c1-2-16-6-3-4-8(10(14)15)7(5-6)9(11,12)13/h3-5,14-15H,2H2,1H3
InChI Key	OGQUWAGSWMWDRG-UHFFFAOYSA-N
MDL Number	MFCD08059515
Molecular Formula	C9H10BF3O3
Molecular Weight	233.9801
SMILES	CCOC1=CC(=C(C=C1)B(O)O)C(F)(F)F
Synonyms	313545-39-0, 4-Ethoxy-2-(trifluoromethyl)phenylboronic acid, (4-Ethoxy-2-(trifluoromethyl)phenyl)boronic acid, 4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID, [4-ethoxy-2-(trifluoromethyl)phenyl]boronic acid, ACMC-1AHNC, SCHEMBL3563846, CTK6G1481, 2-Borono-5-ethoxybenzotrifluoride, OGQUWAGSWMWDRG-UHFFFAOYSA-N, KS-00000HC6, ZX-AP011599, ANW-27090, CE-834, MFCD08059515, PC3071, SBB098153, VT1363, AKOS015893117, ZINC169807572, RL03101, RP05638, AK-29129, BC001184, DS-10992, AX8157838, DB-028854, RT-009647, CS-0041762, FT-0647391, X0700, 4-ethoxy-2-trifluoromethylphenyl boronic acid, B-8108, I04-2128, C9H10BF3O3, 4-Ethoxy-2-(trifluoromethyl)benzeneboronicacid,

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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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