AG00168X

1218790-30-7 | 1-BOC-5-chloroindole-3-boronic acid, pinacol ester

AG00168X

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CAS Number	1218790-30-7
Catalog Number	AG00168X(AGN-PC-09PZM3)
Chemical Name	1-BOC-5-chloroindole-3-boronic acid, pinacol ester
IUPAC Name	tert-butyl 5-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(13-10-12(21)8-9-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
InChI Key	MRVFRFXOZGTHHX-UHFFFAOYSA-N
MDL Number	MFCD15143612
Molecular Formula	C19H25BClNO4
Molecular Weight	377.6701
SMILES	O=C(N1C=C(B2OC(C)(C)C(C)(C)O2)C3=C1C=CC(Cl)=C3)OC(C)(C)C
Synonyms	1218790-30-7, tert-Butyl 5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, 1-BOC-5-chloroindole-3-boronic acid, pinacol ester, 1-Boc-5-chloroindole-3-boronic acidpinacol ester, CTK8B6488, DTXSID80682308, ANW-53531, MFCD15143612, AKOS015999329, ZINC169746302, AK-91920, DS-17491, OR360719, SC-48504, AX8230093, TR-034803, FT-0760554, ST24025958, A-3804, 1H-Indole-1-carboxylic acid, 5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester, MRVFRFXOZGTHHX-UHFFFAOYSA-N, 1-BOC-5-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

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