AG003EIQ

596819-10-2 | 1-Methylindole-2-boronic acid, pinacol ester

AG003EIQ

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CAS Number	596819-10-2
Catalog Number	AG003EIQ(AGN-PC-04T9K5)
Chemical Name	1-Methylindole-2-boronic acid, pinacol ester
IUPAC Name	1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI	InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-11-8-6-7-9-12(11)17(13)5/h6-10H,1-5H3
InChI Key	KMLZZUZKSQWHKC-UHFFFAOYSA-N
MDL Number	MFCD13182063
Molecular Formula	C15H20BNO2
Molecular Weight	257.1358
SMILES	CC1(C)C(C)(C)OB(C(N2C)=CC3=C2C=CC=C3)O1
Synonyms	596819-10-2, 1-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, 1-Methyl-2-indoleboronic acid pinacol ester, 1-METHYLINDOLE-2-BORONIC ACID, PINACOL ESTER, SCHEMBL824200, CTK8F3384, DTXSID90647807, KM0333, MFCD13182063, AKOS025293610, ZINC169935853, FCH2810401, MB12728, OR361443, 1-methylindole-2-boronic acid pinacol ester, FT-0736479, Y0542, 1-Methyl-2-indoleboronic acid pinacol ester, 97%, 1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborole-2-yl)-1H-indole, C15H20BNO2,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.159g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.14g/mol
Monoisotopic Mass	257.159g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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