AG003N58

1073353-82-8 | 6-Chloro-1-methylindole-2-boronic acid, pinacol ester

AG003N58

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CAS Number	1073353-82-8
Catalog Number	AG003N58(AGN-PC-07XU41)
Chemical Name	6-Chloro-1-methylindole-2-boronic acid, pinacol ester
IUPAC Name	6-chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI	InChI=1S/C15H19BClNO2/c1-14(2)15(3,4)20-16(19-14)13-8-10-6-7-11(17)9-12(10)18(13)5/h6-9H,1-5H3
InChI Key	XSLOXVSTSLRQFE-UHFFFAOYSA-N
MDL Number	MFCD11504964
Molecular Formula	C15H19BClNO2
Molecular Weight	291.5809
SMILES	CC1(C)C(C)(C)OB(C(N2C)=CC3=C2C=C(Cl)C=C3)O1
Synonyms	1073353-82-8, 6-Chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 6-Chloro-1-methylindole-2-boronic acid, pinacol ester, CTK8B3354, DTXSID60674761, ANW-42360, MFCD11504964, AKOS015999644, ZINC169746617, FCH2838075, MB09898, RTR-001719, OR360963, QC-10423, AX8231419, TR-001719, ST24024325, A-4811, J-001811, 6-Chloro-1-methylindole-2-boronic acid,pinacol ester, 6-Chloro-1-methylindole-2-boronic acid pinacol ester,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.12g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.582g/mol
Monoisotopic Mass	291.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.4A^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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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