Home Boronic Acids 849052-22-8
849052-22-8,MFCD06411372
Catalog No.:AA003IX1
849052-22-8 | 3-Bromo-2-(4'-fluorobenzyloxy)phenylboronic acid
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250mg
95%
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$65.00   $45.00
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1g
95%
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$186.00   $130.00
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Technical Information
Catalog Number:
AA003IX1
Chemical Name:
3-Bromo-2-(4'-fluorobenzyloxy)phenylboronic acid
CAS Number:
849052-22-8
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD06411372
IUPAC Name:
[3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7,17-18H,8H2
InChI Key:
FAGFWOJETYFVAS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1c(Br)cccc1B(O)O
Properties
Computed Properties
 
Complexity:
275  
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
 
849052-22-8 
3-Bromo-2-(4'-fluorobenzyloxy)phenylboronic acid 
ZINC169877213 
AB25292 
RTR-026283 
PC412248 
AX8280848 
TR-026283 
X2312 
A-4648 
3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBOR& 
I01-16370 
(3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronic acid 
{3-Bromo-2-[(4-fluorophenyl)methoxy]phenyl}boronic acid 
3-Bromo-2-(4 inverted exclamation marka-fluorobenzyloxy)phenylboronic acid 
C13H11BBrFO3 
3-Bromo-2-(4-fluorobenzyloxy)phenylboronic acid 
SCHEMBL9893572 
CTK8B2412 
DTXSID70584584 
ANW-37880 
MFCD06411372 
AKOS015888890 
Literature
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