Home Boronic Acids 870718-00-6
870718-00-6,MFCD05664336
Catalog No.:AA003IXJ
870718-00-6 | 3-Bromo-2-ethoxy-5-methylphenylboronic acid
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1g
98%
in stock  
$58.00   $40.00
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5g
98%
in stock  
$229.00   $160.00
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Technical Information
Catalog Number:
AA003IXJ
Chemical Name:
3-Bromo-2-ethoxy-5-methylphenylboronic acid
CAS Number:
870718-00-6
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD05664336
IUPAC Name:
(3-bromo-2-ethoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-3-14-9-7(10(12)13)4-6(2)5-8(9)11/h4-5,12-13H,3H2,1-2H3
InChI Key:
BTBLZNZUELXCOT-UHFFFAOYSA-N
SMILES:
CCOc1c(Br)cc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
179  
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:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
870718-00-6 
3-Bromo-2-ethoxy-5-methylphenylboronic acid 
AKOS015834041 
ZINC169748132 
AB22362 
FCH1376777 
RTR-027105 
BC002000 
BP-11407 
OR360283 
AX8261412 
ST24034309 
(3-Bromo-2-ethoxy-5-methylphenyl)boronic acid 
X2541 
Q-7743 
I04-1797 
B-(3-BROMO-2-ETHOXY-5-METHYLPHENYL)-BORONIC ACID 
BORONIC ACID, B-(3-BROMO-2-ETHOXY-5-METHYLPHENYL)- 
C9H12BBrO3 
3-BROMO-2-ETHOXY-5-METHYLPHENYLBORONIC& 
3-BROMO-2-ETHOXYL-5-METHYLPHENYLBORONIC ACID 
ACMC-209qd9 
SCHEMBL3318902 
CTK5F7712 
DTXSID90584420 
ANW-38443 
MFCD05664336 
Literature
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