AG005SN1

942070-47-5 | 1-BOC-7-Azaindole-3-boronic acid, pinacol ester

AG005SN1

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CAS Number	942070-47-5
Catalog Number	AG005SN1(AGN-PC-09PZLS)
Chemical Name	1-BOC-7-Azaindole-3-boronic acid, pinacol ester
IUPAC Name	tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI	InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChI Key	FWSVXYOMGFESAP-UHFFFAOYSA-N
MDL Number	MFCD12407268
Molecular Formula	C18H25BN2O4
Molecular Weight	344.2131
SMILES	CC(C)(C)OC(=O)N1C=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CN=C12
Synonyms	942070-47-5, 1-Boc-7-Azaindole-3-boronic acid pinacol ester, TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE, tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, 1-BOC-7-Azaindole-3-boronic acid, pinacol ester, AK-43767, (1-(TERT-BUTOXYCARBONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate, SCHEMBL3346641, CTK5H5799, DTXSID30682297, FWSVXYOMGFESAP-UHFFFAOYSA-N, 1-N-Boc-3-B(Pin)-7-azaindole, MFCD12407268, AKOS015950278, ZINC169810090, PB15081, RP07996, AS-33453, OR360161, SY027881, AX8211358, ST1090501, AM20061632, CS-0048356, FT-0684728, V9404, MFCD12407268 (95%), A-3794, 1-Boc-7-azaindole-3-boronic acid,pinacol ester, A844871, J-524480, tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate, 1-(tert-Butyloxycarbonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-pyrrolo[2,3-b]pyridine, 2-Methyl-2-propanyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester, tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-1-carboxylate, C18H25BN2O4,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.191g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.218g/mol
Monoisotopic Mass	344.191g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^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-P305+P351+P338
UN Code

Certificate of Analysis

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