AG00FFX5

683229-62-1 | 5-Methoxy-1H-indole-2-boronic acid pinacol ester

AG00FFX5

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CAS Number	683229-62-1
Catalog Number	AG00FFX5(AGN-PC-09PZAH)
Chemical Name	5-Methoxy-1H-indole-2-boronic acid pinacol ester
IUPAC Name	5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI	InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)13-9-10-8-11(18-5)6-7-12(10)17-13/h6-9,17H,1-5H3
InChI Key	AOZMEMXVPBBRNR-UHFFFAOYSA-N
MDL Number	MFCD11858363
Molecular Formula	C15H20BNO3
Molecular Weight	273.1352
SMILES	CC1(C)C(C)(C)OB(C(N2)=CC3=C2C=CC(OC)=C3)O1
Synonyms	683229-62-1, 5-METHOXY-1H-INDOLE-2-BORONIC ACID PINACOL ESTER, 5-METHOXY-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, DTXSID30681927, MFCD11858363, AKOS022184193, ZINC169935398, FCH2840445, MB10199, OR361364, FT-0705179, A-9165, 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 2-(5-Methoxy-1H-indole-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.154g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.139g/mol
Monoisotopic Mass	273.154g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.5A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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