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866038-31-5,MFCD04125556
Catalog No.:AA00IQAL

866038-31-5 | 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA00IQAL
Chemical Name:
2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
CAS Number:
866038-31-5
Molecular Formula:
C10H6ClN3O
Molecular Weight:
219.6271
MDL Number:
MFCD04125556
SMILES:
ClCC(=O)c1c[nH]c(c1)C=C(C#N)C#N
Properties
Computed Properties
 
Complexity:
366  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Literature
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SDS
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Tags:866038-31-5 Molecular Formula|866038-31-5 MDL|866038-31-5 SMILES|866038-31-5 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
Catalog No.: AA00IQAL
866038-31-5,MFCD04125556
866038-31-5 | 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
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: AA00IQAL
Chemical Name: 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
CAS Number: 866038-31-5
Molecular Formula: C10H6ClN3O
Molecular Weight: 219.6271
MDL Number: MFCD04125556
SMILES: ClCC(=O)c1c[nH]c(c1)C=C(C#N)C#N
Properties
Complexity: 366  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
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