Home Boronic Acids 871126-27-1
871126-27-1,MFCD07784394
Catalog No.:AA003J0K
871126-27-1 | 3-Bromo-5-propoxyphenylboronic acid
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1g
95%
in stock  
$29.00   $20.00
- +
5g
95%
in stock  
$86.00   $60.00
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25g
95%
in stock  
$215.00   $150.00
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100g
95%
in stock  
$556.00   $389.00
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Technical Information
Catalog Number:
AA003J0K
Chemical Name:
3-Bromo-5-propoxyphenylboronic acid
CAS Number:
871126-27-1
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD07784394
IUPAC Name:
(3-bromo-5-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3
InChI Key:
OHFYAFQVSGUNME-UHFFFAOYSA-N
SMILES:
CCCOc1cc(Br)cc(c1)B(O)O
Properties
Computed Properties
 
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.906g/mol
Monoisotopic Mass:
258.006g/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-propoxyphenylboronic acid 
871126-27-1 
RTR-027181 
BP-11410 
OR360809 
AX8261423 
Boronic acid,B-(3-bromo-5-propoxyphenyl)- 
X2595 
B-5428 
I04-1788 
C9H12BBrO3 
3-BROMO-5-PROPOXYPHENYLBORONICACID 
(3-Bromo-5-propoxyphenyl)boronic acid 
ACMC-209qfd 
CTK5F7839 
DTXSID50584724 
ANW-38519 
MFCD07784394 
AKOS015834235 
ZINC169877331 
Literature
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