Home Boronic Acids 1025708-01-3
1025708-01-3,MFCD08669582
Catalog No.:AA0007ON
1025708-01-3 | Benzoic acid, 2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
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1g
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5g
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$513.00   $359.00
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Technical Information
Catalog Number:
AA0007ON
Chemical Name:
Benzoic acid, 2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1025708-01-3
Molecular Formula:
C15H20BBrO4
Molecular Weight:
355.0319
MDL Number:
MFCD08669582
IUPAC Name:
ethyl 2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BBrO4/c1-6-19-13(18)12-10(8-7-9-11(12)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI Key:
RUXVIBBNVOTTPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)cccc1B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.064g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.035g/mol
Monoisotopic Mass:
354.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1025708-01-3 
ETHYL 2-BROMOBENZOATE-6-BORONIC ACID PINACOL ESTER 
ethyl2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
ethyl 2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
Ethyl 2-bromo-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoate 
CTK8E8080 
DTXSID90585992 
ZINC196097686 
RT-017361 
C-1922 
J-000731 
Literature
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