AG004TVB

871332-96-6 | 3-Ethoxy-5-(trifluoromethyl)phenylboronic acid

AG004TVB

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CAS Number	871332-96-6
Catalog Number	AG004TVB(AGN-PC-0VB2LN)
Chemical Name	3-Ethoxy-5-(trifluoromethyl)phenylboronic acid
IUPAC Name	[3-ethoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C9H10BF3O3/c1-2-16-8-4-6(9(11,12)13)3-7(5-8)10(14)15/h3-5,14-15H,2H2,1H3
InChI Key	ATZRXKHRSOTBAM-UHFFFAOYSA-N
MDL Number	MFCD08056361
Molecular Formula	C9H10BF3O3
Molecular Weight	233.9801
SMILES	OB(C1=CC(C(F)(F)F)=CC(OCC)=C1)O
Synonyms	871332-96-6, 3-ETHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 3-ETHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID, 3-Ethoxy-5-trifluoromethylphenylboronic acid, MFCD08056361, (3-ethoxy-5-(trifluoromethyl)phenyl)boronic acid, [3-ethoxy-5-(trifluoromethyl)phenyl]boronic acid, Boronic acid,B-[3-ethoxy-5-(trifluoromethyl)phenyl]-, ACMC-209qhp, 3-Ethoxy-5-(trifluoromethyl)benzeneboronicacid, SCHEMBL12260219, CTK5F7964, DTXSID90660238, ZX-AP006923, ANW-38603, CE-265, PC5051, SBB071094, AKOS015838684, ZINC169745648, AM87303, RL05416, RTR-027267, VB10258, AK-45517, BC001791, CC-14972, SC-53273, AX8006575, DB-008839, TR-027267, FT-0081098, FT-0644994, ST24042126, V1860, B-5695, 3-ethoxy-5-(trifluoromethyl)benzeneboronicacid98%, A842010, C-13737, J-512409, 3-ethoxy-5-(trifluoromethyl)benzeneboronic acid 98%, 3-ethoxy-5-(trifluoromethyl)benzeneboronic acid, AldrichCPR, C9H10BF3O3, 3-ETHOXY-5- 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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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