1379779-22-2,MFCD22574026
Catalog No.:AA0017OT

1379779-22-2 | 5-Bromo-2-hydroxy-4-methoxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$355.00   $249.00
- +
1g
95%
in stock  
$812.00   $569.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0017OT
Chemical Name:
5-Bromo-2-hydroxy-4-methoxybenzonitrile
CAS Number:
1379779-22-2
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD22574026
SMILES:
COc1cc(O)c(cc1Br)C#N
Properties
Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.3727-3731

Literature
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Additional Info:
SDS
Tags:1379779-22-2 Molecular Formula|1379779-22-2 MDL|1379779-22-2 SMILES|1379779-22-2 5-Bromo-2-hydroxy-4-methoxybenzonitrile
Catalog No.: AA0017OT
1379779-22-2,MFCD22574026
1379779-22-2 | 5-Bromo-2-hydroxy-4-methoxybenzonitrile
Pack Size: 250mg
Purity: 95%
in stock
$355.00 $249.00
Pack Size: 1g
Purity: 95%
in stock
$812.00 $569.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0017OT
Chemical Name: 5-Bromo-2-hydroxy-4-methoxybenzonitrile
CAS Number: 1379779-22-2
Molecular Formula: C8H6BrNO2
Molecular Weight: 228.0427
MDL Number: MFCD22574026
SMILES: COc1cc(O)c(cc1Br)C#N
Properties
Complexity: 201  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
57543-36-9    1379779-22-2 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.3727-3731

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