AG00D87G

475102-14-8 | 1-BOC-5-methylindole-2-boronic acid

AG00D87G

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CAS Number	475102-14-8
Catalog Number	AG00D87G(AGN-PC-0RVA1K)
Chemical Name	1-BOC-5-methylindole-2-boronic acid
IUPAC Name	[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C14H18BNO4/c1-9-5-6-11-10(7-9)8-12(15(18)19)16(11)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
InChI Key	PEOOUPNYKOKTRH-UHFFFAOYSA-N
MDL Number	MFCD04114580
Molecular Formula	C14H18BNO4
Molecular Weight	275.1080
SMILES	CC1=CC2=C(N(C(OC(C)(C)C)=O)C(B(O)O)=C2)C=C1
Synonyms	475102-14-8, (1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl)boronic acid, 1-BOC-5-methylindole-2-boronic acid, 1-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID, 1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl-2-boronic acid, [5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, {1-[(tert-butoxy)carbonyl]-5-methyl-1H-indol-2-yl}boronic acid, 1H-Indole-1-carboxylicacid, 2-borono-5-methyl-, 1-(1,1-dimethylethyl) ester, [1-(tert-butoxycarbonyl)-5-methyl-1h-indol-2-yl]boronic acid, AC1MYWAL, ACMC-1ALC9, SCHEMBL593975, CTK4J0054, DTXSID50397538, ANW-30537, MFCD04114580, AKOS015836476, ZINC169743859, AB18597, BS-2073, CB-2277, RP06551, RTR-017517, KS-0000232E, TR-017517, CS-0002262, FT-0644718, ST24026052, Y9184, A-3836, A827254, N-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID, 5-Methyl-1H-indole-2-boronic acid, BOC protected, J-503652, 1-Boc-5-methyl-1H-indole-2-boronic acid, AldrichCPR, 2-Borono-1-(tert-butoxycarbonyl)-5-methyl-1H-indole, tert-Butyl 2-borono-5-methyl-1H-indole-1-carboxylate, 1-(tert-butoxycarbonyl)-5-methylindol-2-ylboronic acid, 1-(tert-butoxycarbonyl)-5-methyl-1H-indol-2-ylboronic acid, [5-Methyl-1-(tert-butoxycarbonyl)-1H-indole-2-yl]boronic acid, [5-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid, C14H18BNO4, CID3863265, 1H-Indole-1-carboxylic acid, 2-borono-5-methyl-, 1-(1,1-dimethylethyl) ester (9CI), 13590-82-4,

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	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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