Home Boronic Acids 1072951-86-0
1072951-86-0,MFCD09750471
Catalog No.:AA003IXT
1072951-86-0 | 3-Bromo-2-isopropoxy-5-formylphenylboronic acid
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Purity
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Price(USD)
Quantity
  
1g
97%
in stock  
$43.00   $30.00
- +
5g
97%
in stock  
$172.00   $120.00
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Technical Information
Catalog Number:
AA003IXT
Chemical Name:
3-Bromo-2-isopropoxy-5-formylphenylboronic acid
CAS Number:
1072951-86-0
Molecular Formula:
C10H12BBrO4
Molecular Weight:
286.9149
MDL Number:
MFCD09750471
IUPAC Name:
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H12BBrO4/c1-6(2)16-10-8(11(14)15)3-7(5-13)4-9(10)12/h3-6,14-15H,1-2H3
InChI Key:
JDRHFOMNQQEZJZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)B(O)O)OC(C)C
Properties
Computed Properties
 
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.916g/mol
Monoisotopic Mass:
286.001g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1072951-86-0 
3-Bromo-2-isopropoxy-5-formylphenylboronic acid 
AKOS015834055 
ZINC169748140 
RTR-001645 
BC001632 
OR360189 
AX8217948 
TR-001645 
ST24034327 
Y3628 
B-6393 
(3-Bromo-5-formyl-2-isopropoxyphenyl)boronic acid 
I04-1793 
{3-Bromo-5-formyl-2-[(propan-2-yl)oxy]phenyl}boronic acid 
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid 
(3-BROMO-5-FORMYL-2-ISOPROPOXY-PHENYL)BORONIC ACID 
ACMC-2098tt 
C10H12BBrO4 
CTK4A5306 
DTXSID90584925 
ANW-15711 
MFCD09750471 
Literature
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