AG00G9V3

837392-54-8 | 2-Methyl-1h-indol-5-ylboronic acid pinacol ester

AG00G9V3

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CAS Number	837392-54-8
Catalog Number	AG00G9V3(AGN-PC-01W7GZ)
Chemical Name	2-Methyl-1h-indol-5-ylboronic acid pinacol ester
IUPAC Name	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI	InChI=1S/C15H20BNO2/c1-10-8-11-9-12(6-7-13(11)17-10)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3
InChI Key	GTGXBZPFDNAVMM-UHFFFAOYSA-N
MDL Number	MFCD13181964
Molecular Formula	C15H20BNO2
Molecular Weight	257.1358
SMILES	CC1(C)C(C)(C)OB(C2=CC3=C(NC(C)=C3)C=C2)O1
Synonyms	837392-54-8, 2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 2-METHYL-1H-INDOL-5-YLBORONIC ACID PINACOL ESTER, (2-Methyl-1H-indol-5-yl)boronic acid pinacol ester, SCHEMBL3190570, GTGXBZPFDNAVMM-UHFFFAOYSA-N, KS-000005UW, MFCD13181964, AKOS025146771, ZINC170015788, MB12471, AS-50984, 2-Methylindole-5-boronic acid pinacol ester, CS-0051856, 1H-Indole, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-indole,

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	1
Isotope Atom Count	0
Molecular Weight	257.14g/mol
Monoisotopic Mass	257.159g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.2A^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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