AG00H1TL

936728-22-2 | 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

AG00H1TL

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CAS Number	936728-22-2
Catalog Number	AG00H1TL(AGN-PC-0WA8DK)
Chemical Name	3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name	3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI	InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,1-4H3,(H,16,17)
InChI Key	NMYIHYHALOHVHV-UHFFFAOYSA-N
MDL Number	MFCD12756465
Molecular Formula	C13H16BFO4
Molecular Weight	266.0731
SMILES	FC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C(O)=O)=C1
Synonyms	936728-22-2, 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 3-Carboxy-5-fluorophenylboronic acid, pinacol ester, 3-Carboxy-5-fluorophenylboronic acid pinacol ester, MFCD12756465, 3-CARBOXY-5-FLUOROBENZENEBORONIC ACID PINACOL ESTER, SCHEMBL1721770, CTK8B6301, DTXSID20675390, ANW-53252, AKOS015999693, ZINC169746576, FCH2806490, AS-54730, PC412281, AX8231244, TR-038471, ST24022882, B-4722, 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.113g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	266.075g/mol
Monoisotopic Mass	266.113g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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