Home Boronic Acids 1024677-85-7
1024677-85-7,MFCD12407263
Catalog No.:AA0007GB
1024677-85-7 | 1-Boc-5-bromoindole-3-boronic acid pinacol ester
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250mg
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$172.00   $120.00
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1g
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Technical Information
Catalog Number:
AA0007GB
Chemical Name:
1-Boc-5-bromoindole-3-boronic acid pinacol ester
CAS Number:
1024677-85-7
Molecular Formula:
C19H25BBrNO4
Molecular Weight:
422.1211
MDL Number:
MFCD12407263
IUPAC Name:
tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C19H25BBrNO4/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:
ZMQSMCBTNUUULC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.106g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.126g/mol
Monoisotopic Mass:
421.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1024677-85-7 
TERT-BUTYL 5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE 
ZINC169746309 
AS-43909 
DA-16212 
OR360714 
AX8230099 
TR-033846 
FT-0764640 
ST24025955 
A-3799 
1H-Indole-1-carboxylic acid, 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester 
1-Boc-5-bromoindole-3-boronic acid pinacol ester 
tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole-1-carboxylate 
SCHEMBL9904358 
CTK4A1121 
DTXSID20682322 
ZMQSMCBTNUUULC-UHFFFAOYSA-N 
ANW-53526 
MFCD12407263 
AKOS015834576 
Literature
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