AG001693

1218790-24-9 | 1-BOC-6-chloroindole-3-boronic acid, pinacol ester

AG001693

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1218790-24-9
Catalog Number	AG001693(AGN-PC-09PZLV)
Chemical Name	1-BOC-6-chloroindole-3-boronic acid, pinacol ester
IUPAC Name	tert-butyl 6-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI	InChI=1S/C19H25BClNO4/c1-17(2,3)24-16(23)22-11-14(13-9-8-12(21)10-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
InChI Key	JFNOJLRXOALBQW-UHFFFAOYSA-N
MDL Number	MFCD15143606
Molecular Formula	C19H25BClNO4
Molecular Weight	377.6701
SMILES	O=C(N1C=C(B2OC(C)(C)C(C)(C)O2)C3=C1C=C(Cl)C=C3)OC(C)(C)C
Synonyms	1218790-24-9, tert-Butyl 6-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, 1-BOC-6-chloroindole-3-boronic acid, pinacol ester, JFNOJLRXOALBQW-UHFFFAOYSA-N, SCHEMBL14738187, CTK8B6491, DTXSID00682300, ANW-53534, MFCD15143606, AKOS015999326, ZINC169746297, AS-43907, DA-47131, OR360720, AX8230090, TR-034797, CS-0063940, FT-0747404, ST24025964, A-3805, 1H-Indole-1-carboxylic acid, 6-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, 1-BOC-6-chloroindole-3-boronic acid pinacol ester,

Complexity	546
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.157g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	377.672g/mol
Monoisotopic Mass	377.157g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^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

Lot Number