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15996-74-4,MFCD00968196
Catalog No.:AA00HYHX

15996-74-4 | 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$211.00   $148.00
- +
5g
98%
in stock  
$743.00 $520.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HYHX
Chemical Name:
4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
CAS Number:
15996-74-4
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
MDL Number:
MFCD00968196
SMILES:
N#Cc1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
432  
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:
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:
2.5  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:15996-74-4 Molecular Formula|15996-74-4 MDL|15996-74-4 SMILES|15996-74-4 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
Catalog No.: AA00HYHX
15996-74-4,MFCD00968196
15996-74-4 | 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
Pack Size： 1g
Purity： 98%
in stock
$211.00 $148.00
Pack Size： 5g
Purity： 98%
in stock
$743.00 $520.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00HYHX
Chemical Name: 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
CAS Number: 15996-74-4
Molecular Formula: C16H10N2O2
Molecular Weight: 262.2628
MDL Number: MFCD00968196
SMILES: N#Cc1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity: 432  
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: 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: 2.5  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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