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Home Nitro Compounds 57910-98-2
57910-98-2,MFCD00014705
Catalog No.:AA003LNF

57910-98-2 | 4-Methyl-2-nitrophenyl isocyanate

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250mg
≥95%
in stock  
$93.00   $65.00
- +
1g
≥95%
in stock  
$172.00   $120.00
- +
5g
≥95%
in stock  
$532.00   $373.00
- +
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Technical Information
Catalog Number:
AA003LNF
Chemical Name:
4-Methyl-2-nitrophenyl isocyanate
CAS Number:
57910-98-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00014705
SMILES:
O=C=Nc1ccc(cc1[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3  

Literature

Title: Vibration and DFT analysis of 2-methyl-3-nitrophenyl isocyanate and 4-methyl-2-nitrophenyl isocyanate.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120901

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Tags:57910-98-2 Molecular Formula|57910-98-2 MDL|57910-98-2 SMILES|57910-98-2 4-Methyl-2-nitrophenyl isocyanate