Home Boronic Acids 870718-03-9
870718-03-9,MFCD04974113
Catalog No.:AA003IXE
870718-03-9 | 3-Bromo-2-butoxy-5-methylphenylboronic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
- +
5g
98%
in stock  
$229.00   $160.00
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Technical Information
Catalog Number:
AA003IXE
Chemical Name:
3-Bromo-2-butoxy-5-methylphenylboronic acid
CAS Number:
870718-03-9
Molecular Formula:
C11H16BBrO3
Molecular Weight:
286.9579
MDL Number:
MFCD04974113
IUPAC Name:
(3-bromo-2-butoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C11H16BBrO3/c1-3-4-5-16-11-9(12(14)15)6-8(2)7-10(11)13/h6-7,14-15H,3-5H2,1-2H3
InChI Key:
AQZXOJQXDSSZCI-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Br)cc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.96g/mol
Monoisotopic Mass:
286.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-Bromo-2-butoxy-5-methylphenylboronic acid 
870718-03-9 
MFCD04974113 
AKOS015834052 
ZINC169877059 
AB21486 
RTR-027108 
BP-12151 
OR360768 
AX8280856 
X2544 
3-BROMO-2-BUTOXY-5-METHYLPHENYLBORONIC & 
(3-bromo-2-butoxy-5-methylphenyl)boronic acid 
I04-1801 
CID4339837 
(3-bromo-2-butoxy-5-methyl-phenyl)boronic Acid 
ACMC-209qdc 
AC1N88GF 
C11H16BBrO3 
SCHEMBL3315111 
CTK5F7715 
DTXSID50402095 
ANW-38446 
Literature
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