Home Boronic Acids 1072946-34-9
1072946-34-9,MFCD11053802
Catalog No.:AA003IBK
1072946-34-9 | 3,4,5-Trichloro-2-methylphenylboronic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$556.00   $389.00
- +
250mg
96%
in stock  
$1,112.00   $778.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IBK
Chemical Name:
3,4,5-Trichloro-2-methylphenylboronic acid
CAS Number:
1072946-34-9
Molecular Formula:
C7H6BCl3O2
Molecular Weight:
239.2913
MDL Number:
MFCD11053802
IUPAC Name:
(3,4,5-trichloro-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H6BCl3O2/c1-3-4(8(12)13)2-5(9)7(11)6(3)10/h2,12-13H,1H3
InChI Key:
NEKATBSATBTEKT-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1C)Cl)Cl)O
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.283g/mol
Monoisotopic Mass:
237.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1072946-34-9 
3,4,5-TRICHLORO-2-METHYLPHENYLBORONIC ACID 
ZINC169807455 
FCH1402192 
OR20046 
RTR-001577 
TR-001577 
Z7045 
A-4566 
I04-2449 
(3,4,5-trichloro-2-methylphenyl)boronic acid 
ACMC-2098ry 
C7H6BCl3O2 
CTK4A5250 
DTXSID00674543 
ANW-15644 
MFCD11053802 
AKOS015848602 
Literature
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