Home Boronic Acids 1025718-78-8
1025718-78-8,MFCD12405334
Catalog No.:AA0007OK
1025718-78-8 | Methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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1g
97%
in stock  
$172.00   $120.00
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5g
97%
in stock  
$762.00   $534.00
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Technical Information
Catalog Number:
AA0007OK
Chemical Name:
Methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1025718-78-8
Molecular Formula:
C14H18BBrO4
Molecular Weight:
341.0053
MDL Number:
MFCD12405334
IUPAC Name:
methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BBrO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3
InChI Key:
YTLNMWYKZKGCOV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Br)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.048g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.008g/mol
Monoisotopic Mass:
340.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
METHYL 3-BROMO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE 
1025718-78-8 
FT-0757489 
methyl 3-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
3-bromo-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-benzoic acid methyl ester 
3-bromo-5-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-benzoic acid methyl ester 
3-bromo-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester 
BENZOIC ACID, 3-BROMO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER 
ACN-044261 
3-BROMO-5-(METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER 
MFCD12405334 
SCHEMBL310685 
CTK4A1227 
DTXSID50700962 
YTLNMWYKZKGCOV-UHFFFAOYSA-N 
ZINC169745825 
MB11832 
DA-16201 
Literature
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