AG000O7B

1256359-21-3 | 6-Methoxycarbonylindole-2-boronic acid pinacol ester

AG000O7B

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CAS Number	1256359-21-3
Catalog Number	AG000O7B(AGN-PC-0WAC0Z)
Chemical Name	6-Methoxycarbonylindole-2-boronic acid pinacol ester
IUPAC Name	methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate
InChI	InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-10-6-7-11(14(19)20-5)8-12(10)18-13/h6-9,18H,1-5H3
InChI Key	MOQAIXOQKOUHGG-UHFFFAOYSA-N
MDL Number	MFCD11858368
Molecular Formula	C16H20BNO4
Molecular Weight	301.1453
SMILES	O=C(C1=CC2=C(C=C1)C=C(B3OC(C)(C)C(C)(C)O3)N2)OC
Synonyms	1256359-21-3, Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate, 6-Methoxycarbonylindole-2-boronic acid pinacol ester, AK-85283, 6-Methoxycarbonyl-1H-indole-2-boronic acid pinacol ester, DTXSID90682233, MFCD11858368, AKOS022175560, ZINC169747160, DS-3080, OR361336, QC-10425, AX8280833, ST2413251, 4CH-016410, X0430, B-2877, 1H-Indole-6-carboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, C16H20BNO4, MOQAIXOQKOUHGG-UHFFFAOYSA-N,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.149g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.149g/mol
Monoisotopic Mass	301.149g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.6A^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

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