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344281-49-8,MFCD00664421
Catalog No.:AA00IVGK

344281-49-8 | 2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanenitrile

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:
AA00IVGK
Chemical Name:
2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanenitrile
CAS Number:
344281-49-8
Molecular Formula:
C16H11BrClNO
Molecular Weight:
348.6216
MDL Number:
MFCD00664421
SMILES:
N#CC(c1cccc(c1)Br)CC(=O)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
383  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Literature
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SDS
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1313726-29-2
Tags:344281-49-8 Molecular Formula|344281-49-8 MDL|344281-49-8 SMILES|344281-49-8 2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanenitrile
Catalog No.: AA00IVGK
344281-49-8,MFCD00664421
344281-49-8 | 2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanenitrile
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: AA00IVGK
Chemical Name: 2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanenitrile
CAS Number: 344281-49-8
Molecular Formula: C16H11BrClNO
Molecular Weight: 348.6216
MDL Number: MFCD00664421
SMILES: N#CC(c1cccc(c1)Br)CC(=O)c1ccc(cc1)Cl
Properties
Complexity: 383  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
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