Home Boronic Acids 849062-41-5
849062-41-5,MFCD06411360
Catalog No.:AA003IX0
849062-41-5 | 3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid
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250mg
97%
in stock  
$93.00   $65.00
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1g
97%
in stock  
$269.00   $188.00
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Technical Information
Catalog Number:
AA003IX0
Chemical Name:
3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid
CAS Number:
849062-41-5
Molecular Formula:
C14H13BBrFO3
Molecular Weight:
338.9646
MDL Number:
MFCD06411360
IUPAC Name:
[3-bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBrFO3/c1-9-6-12(15(18)19)14(13(16)7-9)20-8-10-2-4-11(17)5-3-10/h2-7,18-19H,8H2,1H3
InChI Key:
PMGXFVHJKMZADN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1c(Br)cc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
300  
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
 
849062-41-5 
3-Bromo-2-(4'-fluorobenzyloxy)-5-methylphenylboronic acid 
ZINC169877199 
AB25266 
RTR-026329 
PC412246 
X2351 
A-4646 
3-BROMO-2-(4'-FLUOROBENZYLOXY)-5-METHYL& 
I01-11437 
{3-Bromo-2-[(4-fluorophenyl)methoxy]-5-methylphenyl}boronic acid 
3-Bromo-2-(4 inverted exclamation marka-fluorobenzyloxy)-5-methylphenylboronic acid 
(3-BROMO-2-((4-FLUOROBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID 
C14H13BBrFO3 
3-Bromo-2-(4-fluorobenzyloxy)-5-methylphenylboronic acid 
SCHEMBL9893587 
CTK8B2436 
DTXSID40584495 
ANW-37923 
MFCD06411360 
AKOS015888500 
Literature
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