AG001LSA

149507-36-8 | Boronic acid, B-[4-methoxy-3-(trifluoromethyl)phenyl]-

AG001LSA

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CAS Number	149507-36-8
Catalog Number	AG001LSA(AGN-PC-01LQVY)
Chemical Name	Boronic acid, B-[4-methoxy-3-(trifluoromethyl)phenyl]-
IUPAC Name	[4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key	BUSMBMGODABSIN-UHFFFAOYSA-N
MDL Number	MFCD07363790
Molecular Formula	C8H8BF3O3
Molecular Weight	219.9535
SMILES	COC1=C(C=C(C=C1)B(O)O)C(F)(F)F
Synonyms	149507-36-8, (4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid, 4-METHOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 4-Methoxy-3-trifluoromethylphenylboronic acid, (4-METHOXY-3-TRIFLUOROMETHYLPHENYL)BORONIC ACID, 3-Trifluoromethyl-4-methoxy-phenylboronic acid, 4-Methoxy-3-(trifluoromethyl)benzeneboronic acid, [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid, MFCD07363790, AK-45428, (4-Methoxy-3- trifluoromethylphenyl)boronic acid, J-501417, Boronic acid, [4-methoxy-3-(trifluoromethyl)phenyl]-, Boronic acid, B-[4-methoxy-3-(trifluoromethyl)phenyl]-, ACMC-1C5IK, SCHEMBL22828, CTK4C6239, KS-00000MFW, DTXSID50590204, BUSMBMGODABSIN-UHFFFAOYSA-N, ZX-AP006864, ANW-21219, CM-921, PC1772, SBB071067, AKOS015851800, ZINC169745469, AB30776, CS-W014757, RL01902, RP27216, RTR-006060, VB10364, BC001157, CC-00720, DS-13517, FS005013, SC-19268, AX8006251, DB-005008, TR-006060, AM20080926, FT-0643441, M2839, ST24034723, V1954, 4-Methoxy-3-trifluoromethylbenzeneboronic acid, (4-Methoxy-3-trifluoromethylphenyl)boronicacid, 4-methoxy-3-trifluoromethyl-phenyl-boronic acid, B-2434, 507M368, A808908, I01-3203, [4-?methoxy-?3-?(trifluoromethyl)?phenyl]?-?boroni, Boronic acid,B-[4-methoxy-3-(trifluoromethyl)phenyl]-, (4-methoxy-3-trifluoromethylphenyl)boronic acid, AldrichCPR, 4-Methoxy-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), C8H8BF3O3, 2-Methoxy-3-(trifluoromethyl)-phenylboronicacid, (4-Methoxy-3-(trifluoromethyl)phenyl)boronicacid, C-12104,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.052g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.954g/mol
Monoisotopic Mass	220.052g/mol
Rotatable Bond Count	2
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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