AG000O7D

1256359-19-9 | 4-Cyanoindole-2-boronic acid pincol ester

AG000O7D

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CAS Number	1256359-19-9
Catalog Number	AG000O7D(AGN-PC-09PZJV)
Chemical Name	4-Cyanoindole-2-boronic acid pincol ester
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
InChI	InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)13-8-11-10(9-17)6-5-7-12(11)18-13/h5-8,18H,1-4H3
InChI Key	NQJHPYXWEQOLBO-UHFFFAOYSA-N
MDL Number	MFCD11858395
Molecular Formula	C15H17BN2O2
Molecular Weight	268.1187
SMILES	N#CC1=CC=CC2=C1C=C(B3OC(C)(C)C(C)(C)O3)N2
Synonyms	1256359-19-9, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile, 4-Cyanoindole-2-boronic acid pincol ester, CTK8B6283, DTXSID00682229, ANW-53212, AKOS015893502, ZINC169746633, FCH2840467, MB10225, OR20047, AK-94568, AX8231466, ST24021727, X0428, B-2901, I04-5922, 1H-INDOLE-4-CARBONITRILE, 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C15H17BN2O2, NQJHPYXWEQOLBO-UHFFFAOYSA-N,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.138g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.123g/mol
Monoisotopic Mass	268.138g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58A^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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