Home Boronic Acids 870778-86-2
870778-86-2,MFCD06798106
Catalog No.:AA003IWX
870778-86-2 | 3-Bromo-2-(2'-fluorobenzyloxy)phenylboronic acid
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250mg
95%
in stock  
$79.00   $55.00
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1g
95%
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$200.00   $140.00
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Technical Information
Catalog Number:
AA003IWX
Chemical Name:
3-Bromo-2-(2'-fluorobenzyloxy)phenylboronic acid
CAS Number:
870778-86-2
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD06798106
IUPAC Name:
[3-bromo-2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-11-6-3-5-10(14(17)18)13(11)19-8-9-4-1-2-7-12(9)16/h1-7,17-18H,8H2
InChI Key:
XTBIXNSHJQLMFR-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1OCc1ccccc1F)Br)O
Properties
Computed Properties
 
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.997g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.94g/mol
Monoisotopic Mass:
323.997g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
870778-86-2 
(3-Bromo-2-((2-fluorobenzyl)oxy)phenyl)boronic acid 
AB29818 
RTR-027127 
PC412247 
AX8280861 
TR-027127 
X2557 
A-4647 
I01-16372 
{3-Bromo-2-[(2-fluorophenyl)methoxy]phenyl}boronic acid 
3-Bromo-2-(2 inverted exclamation marka-fluorobenzyloxy)phenylboronic acid 
3-Bromo-2-(2'-fluorobenzyloxy)phenylboronic acid 
C13H11BBrFO3 
3-BROMO-2- PHENYLBOR& 
3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid 
CTK8B2503 
DTXSID50584587 
ANW-38469 
MFCD06798106 
AKOS015888896 
ZINC169877217 
Literature
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