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13312-81-7,MFCD00068228
Catalog No.:AA001485

13312-81-7 | Benzeneacetonitrile, α-hydroxy-2-nitro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$204.00   $143.00
- +
500mg
95%
in stock  
$740.00   $518.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001485
Chemical Name:
Benzeneacetonitrile, α-hydroxy-2-nitro-
CAS Number:
13312-81-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00068228
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])O
NSC Number:
44638
Properties
Computed Properties
 
Complexity:
240  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.9  

Literature
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SDS
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Tags:13312-81-7 Molecular Formula|13312-81-7 MDL|13312-81-7 SMILES|13312-81-7 Benzeneacetonitrile, α-hydroxy-2-nitro-
Catalog No.: AA001485
13312-81-7,MFCD00068228
13312-81-7 | Benzeneacetonitrile, α-hydroxy-2-nitro-
Pack Size： 100mg
Purity： 95%
in stock
$204.00 $143.00
Pack Size： 500mg
Purity： 95%
in stock
$740.00 $518.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001485
Chemical Name: Benzeneacetonitrile, α-hydroxy-2-nitro-
CAS Number: 13312-81-7
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448
MDL Number: MFCD00068228
SMILES: N#CC(c1ccccc1[N+](=O)[O-])O
NSC Number: 44638
Properties
Complexity: 240  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
XLogP3: 0.9  
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