AG00022M

1004775-33-0 | Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]-

AG00022M

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CAS Number	1004775-33-0
Catalog Number	AG00022M(AGN-PC-0WA8S9)
Chemical Name	Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]-
IUPAC Name	[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3/c1-15-7-4-5(9(13)14)2-3-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key	UHOZSZGYFBEVBA-UHFFFAOYSA-N
MDL Number	MFCD13194426
Molecular Formula	C8H8BF3O3
Molecular Weight	219.9535
SMILES	O(C)c1c(C(F)(F)F)ccc(c1)B(O)O
Synonyms	1004775-33-0, 3-METHOXY-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, (3-Methoxy-4-(trifluoromethyl)phenyl)boronic acid, [3-methoxy-4-(trifluoromethyl)phenyl]boronic acid, ACMC-2097qf, CTK8A8975, DTXSID70716601, ANW-14293, MFCD13194426, AKOS015893144, ZINC169906104, TC-103038, FT-0756642, Z6281, A-9173, I04-2674, Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]-, C8H8BF3O3, (3-Methoxy-4-(trifluoromethyl)phenyl)boronicacid, N/A,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number