AG00BYPO

335649-61-1 | 1-BOC-5-TBDMSO-indole-2-boronic acid

AG00BYPO

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CAS Number	335649-61-1
Catalog Number	AG00BYPO(AGN-PC-0R92WG)
Chemical Name	1-BOC-5-TBDMSO-indole-2-boronic acid
IUPAC Name	[5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-10-9-14(26-27(7,8)19(4,5)6)11-13(15)12-16(21)20(23)24/h9-12,23-24H,1-8H3
InChI Key	NXKIUYOUKLIWLP-UHFFFAOYSA-N
MDL Number	MFCD08689532
Molecular Formula	C19H30BNO5Si
Molecular Weight	391.3417
SMILES	N1(C(OC(C)(C)C)=O)C2=C(C=C(O[Si](C(C)(C)C)(C)C)C=C2)C=C1B(O)O
Synonyms	335649-61-1, 5-(tert-Butyldimethylsilyloxy)-1H-indole-2-boronic acid, N-BOC protected, 1-(tert-Butoxycarbonyl)-5-(tert-butyldimethylsilyloxy)-1H-indol-2-ylboronic acid, 1-BOC-5-TBDMSO-indole-2-boronic acid, 1-(tert-Butoxycarbonyl)-5-(tert-butyldimethylsilyloxy)-1H-indol-2-boronic acid, MFCD08689532, 1-BOC-5-TBDMSO-2-INDOLEBORONIC ACID, J-503647, [1-(tert-butoxycarbonyl)-5-{[tert-butyl(dimethyl)silyl]oxy}-1H-indol-2-yl]boronic acid, C19H30BNO5Si, SCHEMBL1623033, CTK8B3851, DTXSID30624374, NXKIUYOUKLIWLP-UHFFFAOYSA-N, ZX-AT001335, ANW-43317, OR3422, AKOS015893470, ZINC169745363, AB48263, PS-9665, RP07104, RTR-014031, ACM335649611, AX8167936, TR-014031, FT-0687753, Y8761, A-3869, I04-5879, 5-(tert-Butyldimethylsilyloxy)-1H-indole-2-boronic acid,N-boc protected 98, [5-(tert-Butyldimethylsilanoxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid, 1-(tert-butoxycarbonyl)-5-[(tert-butyldimethylsilyl)oxy]indol-2-ylboronic acid, 1-(tert-butoxycarbonyl)-5-{[tert-butyl(dimethyl)silyl]oxy }-1H-indol-2-ylboronic Acid, 1-(tert-butoxycarbonyl)-5-{[tert-butyl(dimethyl)silyl]oxy}-1H-indol-2-ylboronic acid, 1-(tert-Butoxycarbonyl)-5-{[tert-butyl(dimethyl)silyl]oxyl}-1H-indol-2-ylboronic acid, 5-(tert-butyl-dimethyl-silanoxy)-1-(tert-butoxycarbonyl)-1H-indole-2-boronic acid, 5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98, 5-{[(tert-Butyl)dimethylsilyl]oxy}-1H-indole-2-boronic acid, N-BOC protected, 5- -1H-INDOLE-2-BORONICACID,N-BOCPROTECTED98, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-, 1-(1,1-DIMETHYLETHYL) ESTER,

Complexity	543
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	391.199g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	391.346g/mol
Monoisotopic Mass	391.199g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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