AG00BYY3

355836-10-1 | 2-METHOXY-4-(TRIFLUOROMETHOXY)-PHENYLBORONIC ACID

AG00BYY3

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CAS Number	355836-10-1
Catalog Number	AG00BYY3(AGN-PC-03S2C2)
Chemical Name	2-METHOXY-4-(TRIFLUOROMETHOXY)-PHENYLBORONIC ACID
IUPAC Name	[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key	AJCQJELUJDPGEY-UHFFFAOYSA-N
MDL Number	MFCD04037221
Molecular Formula	C8H8BF3O4
Molecular Weight	235.9529
SMILES	FC(F)(F)OC1=CC=C(B(O)O)C(OC)=C1
Synonyms	355836-10-1, (2-Methoxy-4-(trifluoromethoxy)phenyl)boronic acid, 2-Methoxy-4-(trifluoromethoxy)-phenylboronic acid, 2-methoxy-4-(trifluoromethoxy)phenylboronic acid, 2-Methoxy-4-trifluoromethoxyphenylboronic acid, AK-94900, 2-Methoxy-4-(trifluoromethoxy)benzeneboronic acid, [2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid, Boronic acid, [2-methoxy-4-(trifluoromethoxy)phenyl]-, SCHEMBL4048673, CTK4H4875, DTXSID50626118, AJCQJELUJDPGEY-UHFFFAOYSA-N, AM934, BCP05451, ZX-AP012258, ANW-60522, MFCD04037221, PC4266, SBB098492, AKOS015962373, ZINC169747041, AB17008, MP-1585, RP05701, KS-00000N43, AC-26891, SC-43847, AX8076343, DB-008215, ST2414194, TC-149267, TL8002640, 4CH-015229, CS-0084707, FT-0765497, Y8844, 2-methoxy-4-trifluromethoxybenzeneboronic acid, 2-methoxy-4-(trifluoromethoxy)phenylboronicacid, 2-methoxy-4-trifluoromethoxybenzeneboronic acid, 2-methoxy-4-trifluoromethoxyphenyl boronic acid, A21350, 2-methoxy-4-trifluoromethoxy benzeneboronic acid, 2-methoxy-4-trifluoromethoxy-phenyl boronic acid, 2-methoxy-4-trifluoromethoxybenzene boronic acid, 836M101, J-509800, Boronic acid,B-[2-methoxy-4-(trifluoromethoxy)phenyl]-, Boronic acid, B-[2-methoxy-4-(trifluoromethoxy)phenyl]-, C8H8BF3O4, ACN-030469,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.047g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.953g/mol
Monoisotopic Mass	236.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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