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181282-80-4,MFCD18398898
Catalog No.:AA0022PR

181282-80-4 | Methyl 4-chloro-3-cyanobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
>98%
in stock  
$100.00   $70.00
- +
1g
>98%
in stock  
$179.00   $125.00
- +
5g
>98%
in stock  
$703.00   $492.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0022PR
Chemical Name:
Methyl 4-chloro-3-cyanobenzoate
CAS Number:
181282-80-4
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD18398898
SMILES:
COC(=O)c1ccc(c(c1)C#N)Cl
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Literature
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SDS
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Tags:181282-80-4 Molecular Formula|181282-80-4 MDL|181282-80-4 SMILES|181282-80-4 Methyl 4-chloro-3-cyanobenzoate
Catalog No.: AA0022PR
181282-80-4,MFCD18398898
181282-80-4 | Methyl 4-chloro-3-cyanobenzoate
Pack Size： 250mg
Purity： >98%
in stock
$100.00 $70.00
Pack Size： 1g
Purity： >98%
in stock
$179.00 $125.00
Pack Size： 5g
Purity： >98%
in stock
$703.00 $492.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0022PR
Chemical Name: Methyl 4-chloro-3-cyanobenzoate
CAS Number: 181282-80-4
Molecular Formula: C9H6ClNO2
Molecular Weight: 195.6024
MDL Number: MFCD18398898
SMILES: COC(=O)c1ccc(c(c1)C#N)Cl
Properties
Complexity: 245  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
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