AG000O6C

1256358-91-4 | 5-Chloroindole-2-boronic acid pinacol ester

AG000O6C

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CAS Number	1256358-91-4
Catalog Number	AG000O6C(AGN-PC-09PZAD)
Chemical Name	5-Chloroindole-2-boronic acid pinacol ester
IUPAC Name	5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI	InChI=1S/C14H17BClNO2/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(16)5-6-11(9)17-12/h5-8,17H,1-4H3
InChI Key	BILMSGOXKJBFGK-UHFFFAOYSA-N
MDL Number	MFCD11858358
Molecular Formula	C14H17BClNO2
Molecular Weight	277.5543
SMILES	CC1(C)OB(OC1(C)C)C1=CC2=C(N1)C=CC(Cl)=C2
Synonyms	1256358-91-4, 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 5-Chloroindole-2-boronic acid pinacol ester, CTK8C1187, DTXSID90681923, ANW-66028, MFCD11858358, ZINC169935377, FCH2840440, MB10190, OR360942, AX8236215, X0406, B-2665, 5-CHLORO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER, 1H-Indole, 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, C14H17BClNO2, BILMSGOXKJBFGK-UHFFFAOYSA-N,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.104g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.555g/mol
Monoisotopic Mass	277.104g/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	H317-H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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