Home Boronic Acids 849062-18-6
849062-18-6,MFCD06798104
Catalog No.:AA003IWW
849062-18-6 | 3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid
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250mg
96%
in stock  
$65.00   $45.00
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1g
96%
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$186.00   $130.00
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Technical Information
Catalog Number:
AA003IWW
Chemical Name:
3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid
CAS Number:
849062-18-6
Molecular Formula:
C14H13BBrFO3
Molecular Weight:
338.9646
MDL Number:
MFCD06798104
IUPAC Name:
[3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBrFO3/c1-9-6-11(15(18)19)14(12(16)7-9)20-8-10-4-2-3-5-13(10)17/h2-7,18-19H,8H2,1H3
InChI Key:
RJFAJIGWAZAOBQ-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)B(O)O)OCc1ccccc1F
Properties
Computed Properties
 
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.013g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
338.967g/mol
Monoisotopic Mass:
338.013g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
849062-18-6 
3-Bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid 
AB29813 
RTR-026308 
PC412244 
X2331 
A-4644 
I01-11442 
{3-Bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl}boronic acid 
3-Bromo-2-(2 inverted exclamation marka-fluorobenzyloxy)-5-methylphenylboronic acid 
C14H13BBrFO3 
(3-BROMO-2-((2-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID 
3-Bromo-2-(2-fluorobenzyloxy)-5-methylphenylboronic acid 
CTK8B2423 
DTXSID20584493 
ANW-37902 
MFCD06798104 
AKOS015888505 
ZINC169877192 
Literature
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