AG0036BA

874289-51-7 | (5-(tert-Butylcarbamoyl)-2-fluorophenyl)boronic acid

AG0036BA

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CAS Number	874289-51-7
Catalog Number	AG0036BA(AGN-PC-0VDJFN)
Chemical Name	(5-(tert-Butylcarbamoyl)-2-fluorophenyl)boronic acid
IUPAC Name	[5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid
InChI	InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)7-4-5-9(13)8(6-7)12(16)17/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key	KKSGPXWRHLBCCW-UHFFFAOYSA-N
MDL Number	MFCD08436054
Molecular Formula	C11H15BFNO3
Molecular Weight	239.0511
SMILES	c1(ccc(c(c1)B(O)O)F)C(=O)NC(C)(C)C
Synonyms	874289-51-7, (5-(tert-Butylcarbamoyl)-2-fluorophenyl)boronic acid, N-t-Butyl 3-borono-4-fluorobenzamide, 5-(tert-Butylcarbamoyl)-2-fluorobenzeneboronic acid, N-tert-butyl 3-borono-4-fluorobenzamide, MFCD08436054, 5-(Tert-butylcarbmoyl)-2-fluorophenylboronic acid, [5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid, ACMC-209qms, CTK5F8429, DTXSID10660199, ZX-AP006906, ANW-38786, PC3576, SBB099032, AKOS015833522, ZINC169745090, RTR-027445, BC001514, AX8231050, TR-027445, ST24020598, B-8324, 5-(tert-butylcarbamoyl)-2-fluorophenylboronic acid, A842201, [5-(tert-butylcarbamoyl)-2-fluoranyl-phenyl]boronic acid, [5-[(tert-butylamino)-oxomethyl]-2-fluorophenyl]boronic acid, Boronic acid,B-[5-[[(1,1-dimethylethyl)amino]carbonyl]-2-fluorophenyl]-, B-[5-[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL]-2-FLUOROPHENYL]-BORONIC ACID, BORONIC ACID, B-[5-[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL]-2-FLUOROPHENYL]-, 5- -2-FLUOROBENZENEBORONICACID, ACN-042608, 5-tert-Butylcarbamoyl-2-fluorobenzeneboronic acid, (5-(tert-Butylcarbamoyl)-2-fluorophenyl)boronicacid,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	239.053g/mol
Monoisotopic Mass	239.113g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^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

Lot Number