Home Nitro Compounds 13312-81-7
13312-81-7,MFCD00068228
Catalog No.:AA001485

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

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100mg
95%
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$204.00   $143.00
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500mg
95%
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$740.00   $518.00
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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  

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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-