AG008GTD

850568-51-3 | (1-(tert-butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid

AG008GTD

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CAS Number	850568-51-3
Catalog Number	AG008GTD(AGN-PC-0UX3LB)
Chemical Name	(1-(tert-butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid
IUPAC Name	[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C14H18BNO4/c1-9-5-6-10-8-12(15(18)19)16(11(10)7-9)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
InChI Key	KLHBTAWDTXMJLT-UHFFFAOYSA-N
MDL Number	MFCD04973738
Molecular Formula	C14H18BNO4
Molecular Weight	275.1080
SMILES	C(=O)(OC(C)(C)C)n1c2c(cc1B(O)O)ccc(c2)C
Synonyms	850568-51-3, 1-BOC-6-methylindole-2-boronic acid, (1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronic acid, [6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, 1H-Indole-1-carboxylicacid, 2-borono-6-methyl-, 1-(1,1-dimethylethyl) ester, AC1MSON9, SCHEMBL594086, ACMC-209q25, CTK5F3970, DTXSID70393431, KLHBTAWDTXMJLT-UHFFFAOYSA-N, N-Boc-6-methyl-indoleboronic acid, ANW-38043, MFCD04973738, AKOS015836493, ZINC169745023, AB21402, CB-2263, RTR-026513, VB10502, SC-86524, DB-019046, TR-026513, CS-0002252, FT-0644940, ST24026056, V8043, A-3837, 1-Boc-6-methylindole-2-boronic acid, AldrichCPR, A841120, I04-1904, 2-Borono-1-(tert-butoxycarbonyl)-6-methyl-1H-indole, 6-Methyl-1H-indole-2-boronic acid, N-BOC protected, tert-Butyl 2-borono-6-methyl-1H-indole-1-carboxylate, 1-(tert-butoxycarbonyl)-6-methylindol-2-ylboronic acid, 1-(tert-butoxycarbonyl)-6-methyl-1H-indol-2-ylboronic acid, {1-[(tert-butoxy)carbonyl]-6-methyl-1H-indol-2-yl}boronic acid, [6-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid, C14H18BNO4, CID3537674, (1-(tert-Butoxycarbonyl)-6-methyl-1H-indol-2-yl)boronicacid, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-6-METHYL-, 1-(1,1-DIMETHYLETHYL) ESTER,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.133g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	275.111g/mol
Monoisotopic Mass	275.133g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.7A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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