AG008GTA

850568-62-6 | (5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid

AG008GTA

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CAS Number	850568-62-6
Catalog Number	AG008GTA(AGN-PC-00U1J2)
Chemical Name	(5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyindol-2-yl]boronic acid
InChI	InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-17-10-9-16(11-15(17)12-18(22)21(24)25)26-13-14-7-5-4-6-8-14/h4-12,24-25H,13H2,1-3H3
InChI Key	IQKGFXDPCFAYFP-UHFFFAOYSA-N
MDL Number	MFCD06659824
Molecular Formula	C20H22BNO5
Molecular Weight	367.2034
SMILES	O=C(N1C(B(O)O)=CC2=C1C=CC(OCC3=CC=CC=C3)=C2)OC(C)(C)C
Synonyms	850568-62-6, 5-BENZYLOXY-1-BOC-INDOLE-2-BORONIC ACID, (5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid, 5-Benzyloxyindole-2-boronic acid, N-BOC protected, 1-(TERT-BUTOXYCARBONYL)-5-(BENZYLOXY)-1H-INDOL-2-YL-2-BORONIC ACID, 5-benzyloxyindole-2-boronic acid, boc protected, J-503646, 5-Benzyloxy-1H-indole-2-boronic acid, N-BOC protected, 5-(benzyloxy)-1-(tert-butoxycarbonyl)-1h-indol-2-ylboronic acid, 1H-Indole-1-carboxylicacid, 2-borono-5-(phenylmethoxy)-, 1-(1,1-dimethylethyl) ester, [5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid, akos brn-0622, ACMC-209q2d, SCHEMBL1180319, CTK5F3978, DTXSID80583083, IQKGFXDPCFAYFP-UHFFFAOYSA-N, ZX-AT004860, ANW-38051, MFCD06659824, OR5563, AKOS004113907, ZINC169745380, AB26406, PS-9663, RP07064, RTR-026522, VB10718, CC-21212, AX8001219, DB-006958, TR-026522, FT-0081201, FT-0602763, X2437, 5-BENZYLOXY-1-BOC-2-INDOLEBORONIC ACID, B-4176, A841127, C-21053, 5-benzyloxy-1-Boc-indole-2-boronic acid, AldrichCPR, 5-benzyloxyindole-2-boronic acid, n-boc protected 98%, 5-BENZYLOXY-1-T-BUTOXYCARBONYLINDOLE-2-BORONIC ACID, 5-(benzyloxy)-1-(tert-butoxycarbonyl)indol-2-ylboronic acid, 5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indole-2-boronic acid, 1-(tert-Butyloxycarbonyl)-2-(dihydroxyboryl)-5-(benzyloxy)-1H-indole, [1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenylmethoxy-2-indolyl]boronic acid, [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-indol-2-yl]boronic acid, [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxyindol-2-yl]boronic acid, {1-{[(1,1-dimethylethyl)oxy]carbonyl}-5-[(phenylmethyl)oxy]-1H-indol-2-yl}boronic acid, C20H22BNO5, 5-BENZYLOXY-1-BOC-INDOLE-2-BORONICACID, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-(PHENYLMETHOXY)-, 1-(1,1-DIMETHYLETHYL) ESTER,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	367.159g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	367.208g/mol
Monoisotopic Mass	367.159g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	80.9A^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