Home Boronic Acids 849062-19-7
849062-19-7,MFCD06798059
Catalog No.:AA003IX6
849062-19-7 | 3-Bromo-2,4,6-trimethylphenylboronic acid
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Purity
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Price(USD)
Quantity
  
1g
97%
in stock  
$43.00   $30.00
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5g
97%
in stock  
$115.00   $80.00
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Technical Information
Catalog Number:
AA003IX6
Chemical Name:
3-Bromo-2,4,6-trimethylphenylboronic acid
CAS Number:
849062-19-7
Molecular Formula:
C9H12BBrO2
Molecular Weight:
242.9054
MDL Number:
MFCD06798059
IUPAC Name:
(3-bromo-2,4,6-trimethylphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO2/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,12-13H,1-3H3
InChI Key:
JFQLVBOLIWMAIN-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(c(c1C)Br)C)O
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.907g/mol
Monoisotopic Mass:
242.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-Bromo-2,4,6-trimethylphenylboronic acid 
849062-19-7 
AB29784 
FCH1323670 
RTR-026309 
BP-11428 
OR360820 
TR-026309 
X2332 
B-8298 
3-Bromo-2,4,6-trimethylphenylboronic acid, 95% 
I04-1740 
(3-Bromo-2,4,6-trimethylphenyl)boronic acid 
C9H12BBrO2 
3-BROMO-2,4,6-TRIMETHYLPHENYLBORONICACID 
ACMC-209py9 
CTK5F3459 
DTXSID80584398 
ANW-37903 
MFCD06798059 
AKOS015833876 
ZINC169877039 
Literature
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