Home Boronic Acids 1072946-61-2
1072946-61-2,MFCD11504843
Catalog No.:AA003I10
1072946-61-2 | 3-(4-Carboxybutoxy)-2,4,6-trifluorophenylboronic acid
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250mg
98%
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$258.00   $180.00
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1g
98%
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$715.00   $500.00
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Technical Information
Catalog Number:
AA003I10
Chemical Name:
3-(4-Carboxybutoxy)-2,4,6-trifluorophenylboronic acid
CAS Number:
1072946-61-2
Molecular Formula:
C11H12BF3O5
Molecular Weight:
292.0162
MDL Number:
MFCD11504843
IUPAC Name:
5-(3-borono-2,4,6-trifluorophenoxy)pentanoic acid
InChI:
InChI=1S/C11H12BF3O5/c13-6-5-7(14)11(10(15)9(6)12(18)19)20-4-2-1-3-8(16)17/h5,18-19H,1-4H2,(H,16,17)
InChI Key:
VITMYQUXGWOXGS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1c(F)cc(c(c1F)B(O)O)F
Properties
Computed Properties
 
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.073g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
292.017g/mol
Monoisotopic Mass:
292.073g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-(4-Carboxybutoxy)-2,4,6-trifluorophenylboronic acid 
1072946-61-2 
AKOS015836270 
ZINC169904075 
RTR-001599 
PC412277 
TR-001599 
X1554 
A-4586 
I04-1895 
5-(3-Borono-2,4,6-trifluorophenoxy)pentanoic acid 
ACMC-2098sh 
SCHEMBL2554110 
C11H12BF3O5 
CTK4A5269 
DTXSID40674608 
ANW-15663 
MFCD11504843 
Literature
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