AG004S9F

850593-10-1 | 2-Ethoxy-5-trifluoromethylphenylboronic acid

AG004S9F

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CAS Number	850593-10-1
Catalog Number	AG004S9F(AGN-PC-03X8KU)
Chemical Name	2-Ethoxy-5-trifluoromethylphenylboronic acid
IUPAC Name	[2-ethoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(9(11,12)13)5-7(8)10(14)15/h3-5,14-15H,2H2,1H3
InChI Key	IOCXELVDHLDNMQ-UHFFFAOYSA-N
MDL Number	MFCD06801695
Molecular Formula	C9H10BF3O3
Molecular Weight	233.9801
SMILES	CCOC1=C(C=C(C=C1)C(F)(F)F)B(O)O
Synonyms	850593-10-1, 2-ETHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, (2-Ethoxy-5-trifluoromethylphenyl)boronic acid, 2-Ethoxy-5-(trifluoromethyl)benzeneboronic acid, 2-ethoxy-5-(trifluoromethyl)phenylboronic acid, 6-Ethoxy-3-(trifluoromethyl)phenylboronic acid, MFCD06801695, [2-ethoxy-5-(trifluoromethyl)phenyl]boronic acid, (2-ethoxy-5-(trifluoromethyl)phenyl)boronic acid, akos brn-0565, ACMC-209q3k, SCHEMBL986881, CTK3E7408, DTXSID10629625, IOCXELVDHLDNMQ-UHFFFAOYSA-N, ZX-AP006768, ANW-38094, CE-260, PC1619, SBB071205, AKOS004119233, ZINC169745381, AB30098, RL05260, RTR-026569, VB10250, BC001230, CC-00379, SC-53223, AX8011212, DB-010412, TR-026569, 2-ethoxy-5-trifluoromethylbenzeneboronic acid, FT-0644954, ST24040528, V1840, B-5496, 2-ethoxy-5-(trifluoromethyl)benzeneboronicacid98%, 593E101, A841152, C-13738, I04-0684, I04-0687, J-509297, 2-ethoxy-5-(trifluoromethyl)benzeneboronic acid 98%, C9H10BF3O3, 2-ETHOXY-5-TRIFLUOROMETHYLPHENYLBORONICACID,

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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number