AG004PAI

850568-43-3 | 2-Boc-aminomethyl-5-fluorophenylboronic acid

AG004PAI

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CAS Number	850568-43-3
Catalog Number	AG004PAI(AGN-PC-0UX3L4)
Chemical Name	2-Boc-aminomethyl-5-fluorophenylboronic acid
IUPAC Name	[5-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI	InChI=1S/C12H17BFNO4/c1-12(2,3)19-11(16)15-7-8-4-5-9(14)6-10(8)13(17)18/h4-6,17-18H,7H2,1-3H3,(H,15,16)
InChI Key	LQNCBYFATHDYFO-UHFFFAOYSA-N
MDL Number	MFCD04115639
Molecular Formula	C12H17BFNO4
Molecular Weight	269.0771
SMILES	CC(C)(C)OC(=O)NCC1=C(C=C(F)C=C1)B(O)O
Synonyms	850568-43-3, 2-BOC-aminomethyl-5-fluorophenylboronic acid, (2-(((tert-Butoxycarbonyl)amino)methyl)-5-fluorophenyl)boronic acid, (2-BOC-AMINOMETHYL-5-FLUOROPHENYL)BORONIC ACID, AC1MD35P, ZX-AP000458, MFCD04115639, PC2666, AKOS022184004, ZINC169743930, AB20307, PS-9699, [5-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid, TR-026505, FT-0688881, X2423, A-3777, A841118, 2-((tert-butoxycarbonylamino)methyl)-5-fluorophenylboronic acid, 2-(Aminomethyl)-5-fluorobenzeneboronic acid, N-BOC protected, 2-{[(tert-Butoxycarbonyl)amino]methyl}-5-fluorobenzeneboronic acid, 2-{[(tert-butoxycarbonyl)amino]methyl}-5-fluorophenylboronic acid, [2-({[(tert-butoxy)carbonyl]amino}methyl)-5-fluorophenyl]boronic acid, [5-fluoranyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid, [5-fluoro-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid, C12H17BFNO4, ACN-042877, CID2782817, 2-(Aminomethyl)-5-fluorobenzeneboronic acid, 2-(BOC-AMINOMETHYL)-5-FLUOROBENZENEBORONIC ACID,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.123g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	269.079g/mol
Monoisotopic Mass	269.123g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78.8A^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

Lot Number