AG000O0R

1256345-88-6 | Boronic acid, B-[3-methoxy-5-(trifluoromethoxy)phenyl]-

AG000O0R

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CAS Number	1256345-88-6
Catalog Number	AG000O0R(AGN-PC-0WA8SE)
Chemical Name	Boronic acid, B-[3-methoxy-5-(trifluoromethoxy)phenyl]-
IUPAC Name	[3-methoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O4/c1-15-6-2-5(9(13)14)3-7(4-6)16-8(10,11)12/h2-4,13-14H,1H3
InChI Key	PXUPNHCVYUKZFI-UHFFFAOYSA-N
MDL Number	MFCD12026733
Molecular Formula	C8H8BF3O4
Molecular Weight	235.9529
SMILES	COC1=CC(OC(F)(F)F)=CC(=C1)B(O)O
Synonyms	1256345-88-6, (3-Methoxy-5-(trifluoromethoxy)phenyl)boronic acid, 3-METHOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, [3-methoxy-5-(trifluoromethoxy)phenyl]boronic acid, ACMC-209aw3, CTK4B4508, DTXSID30673887, ANW-18385, MFCD12026733, AKOS015851575, ZINC169902037, PC412169, AX8217647, TR-035165, X1835, B-2509, I04-2684, Boronic acid, B-[3-methoxy-5-(trifluoromethoxy)phenyl]-, C8H8BF3O4, (3-Methoxy-5-(trifluoromethoxy)phenyl)boronicacid,

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
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

Lot Number