AG008OLR

777061-36-6 | 1-BOC-indole-5-boronic acid, pinacol ester

AG008OLR

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CAS Number	777061-36-6
Catalog Number	AG008OLR(AGN-PC-0KKLP2)
Chemical Name	1-BOC-indole-5-boronic acid, pinacol ester
IUPAC Name	tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI	InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-11-10-13-12-14(8-9-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3
InChI Key	WPSDWNFTICAMNI-UHFFFAOYSA-N
MDL Number	MFCD05663895
Molecular Formula	C19H26BNO4
Molecular Weight	343.2250
SMILES	O=C(N1C=CC2=C1C=CC(B3OC(C)(C)C(C)(C)O3)=C2)OC(C)(C)C
Synonyms	777061-36-6, tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate, 1-Boc-indole-5-boronic acid pinacol ester, Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate, n-boc-indole-5-boronic acid pinacol ester, 1-BOC-indole-5-boronic acid, pinacol ester, tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1 carboxylate, AC1MBVN2, AC1Q1MW5, AMTB768, SCHEMBL484364, EOS143, CTK5E4805, 1-tert-butoxycarbonylindole-5-boronic acid, pinacol ester, DTXSID40373841, WPSDWNFTICAMNI-UHFFFAOYSA-N, BM245, ZXBA000209, 1-(tert-butyloxy-carbonyl)-indole-5-boronic acid pinacol ester, KS-000022GT, ANW-43325, MFCD05663895, AKOS015893937, ZINC169743747, AB22041, AS-2755, RP07019, RTR-024803, AK-54302, BC000531, CC-34744, OR310402, SC-54160, AX8009048, DB-056244, TR-024803, FT-0644873, Y4073, B-5175, 1-Boc-indole-5-boronic acid pinacol ester, 97%, C-20405, I04-8691, J-524725, 1-(TERT-BUTYLOXY-CARBONYL)-INDOLE-5-BORONIC ACID P, 1-tert-butoxycarbonyl-indole-5-boronic acid, pinacol ester, (1-(TERT-BUTOXYCARBONYL)-1H-INDOL-5-YL)BORONIC ACID PINACOL ESTER, tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate, tert -Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H -indole-1-carboxylate, tert-butyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)indole-1 carboxylate, tert-Butyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1carboxylate, tert-Butyl-5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate, 1H-Indole-1-carboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, 1-2 weeks, C19H26BNO4, CID2757340, 1-TERT-BUTOXYCARBONYLINDOLE-5-BORONICACID,PINACOLESTER,

Complexity	512
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.195g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	343.23g/mol
Monoisotopic Mass	343.195g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H413-H315
Packing Group
Precautionary statements	P273-P501
UN Code

Certificate of Analysis

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