Home Boronic Acids 868272-84-8
868272-84-8,MFCD07369707
Catalog No.:AA003J01
868272-84-8 | 3-Bromo-5-fluoro-2-propoxyphenylboronic acid
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250mg
95%
in stock  
$36.00   $25.00
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1g
95%
in stock  
$86.00   $60.00
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Technical Information
Catalog Number:
AA003J01
Chemical Name:
3-Bromo-5-fluoro-2-propoxyphenylboronic acid
CAS Number:
868272-84-8
Molecular Formula:
C9H11BBrFO3
Molecular Weight:
276.8952
MDL Number:
MFCD07369707
IUPAC Name:
(3-bromo-5-fluoro-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BBrFO3/c1-2-3-15-9-7(10(13)14)4-6(12)5-8(9)11/h4-5,13-14H,2-3H2,1H3
InChI Key:
XOBLNJQYFCQQTQ-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cc(cc1B(O)O)F
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.896g/mol
Monoisotopic Mass:
275.997g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-Bromo-5-fluoro-2-propoxyphenylboronic acid 
868272-84-8 
ZINC169876964 
AB32178 
RTR-027023 
BP-11417 
PC430501 
X2534 
I04-1800 
Boronic acid,B-(3-bromo-5-fluoro-2-propoxyphenyl)- 
C9H11BBrFO3 
(3-Bromo-5-fluoro-2-propoxyphenyl)boronic acid 
ACMC-209qbl 
SCHEMBL12260209 
CTK5F7237 
DTXSID30584287 
ANW-38383 
MFCD07369707 
AKOS015834068 
Literature
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