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21074-40-8,MFCD26743530
Catalog No.:AA002KVE

21074-40-8 | 1-Benzyl-1H-pyrazol-3(2H)-one

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002KVE
Chemical Name:
1-Benzyl-1H-pyrazol-3(2H)-one
CAS Number:
21074-40-8
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD26743530
SMILES:
O=c1ccn([nH]1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
219  
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Dorn,Helmut;Ozegowski,Ruediger[JournalfurPraktischeChemie-Chemiker-Zeitung,1998,vol.340,#5,p.437-449]

[2]Dorn,Helmut;Ozegowski,Ruediger[JournalfurPraktischeChemie-Chemiker-Zeitung,1998,vol.340,#5,p.437-449]

Literature
Quotation Request
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SDS
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Tags:21074-40-8 Molecular Formula|21074-40-8 MDL|21074-40-8 SMILES|21074-40-8 1-Benzyl-1H-pyrazol-3(2H)-one
Catalog No.: AA002KVE
21074-40-8,MFCD26743530
21074-40-8 | 1-Benzyl-1H-pyrazol-3(2H)-one
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA002KVE
Chemical Name: 1-Benzyl-1H-pyrazol-3(2H)-one
CAS Number: 21074-40-8
Molecular Formula: C10H10N2O
Molecular Weight: 174.1992
MDL Number: MFCD26743530
SMILES: O=c1ccn([nH]1)Cc1ccccc1
Properties
Complexity: 219  
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
21074-40-8    68429-96-9 

[1]Dorn,Helmut;Ozegowski,Ruediger[JournalfurPraktischeChemie-Chemiker-Zeitung,1998,vol.340,#5,p.437-449]

[2]Dorn,Helmut;Ozegowski,Ruediger[JournalfurPraktischeChemie-Chemiker-Zeitung,1998,vol.340,#5,p.437-449]

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