Chem Ortho Nitro Toluene - Chemical Supply - Chemryt Informatics Pvt. Ltd.

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Ortho Nitro Toluene


  • SKU Code: CH136974
  • Supplier: Laxmi Dye Chem
Chemical Name - Ortho Nitro Toluene
Mol Weight - 137.138
Smiles - Cc(cccc1)c1[N+]([O-])=O
Property Name Property Value
Mol NameOrtho Nitro Toluene
Molweight137.138
Monoisotopic Mass137.047679
Clogp1.0819
Clogs-2.42
H Acceptors3
Total Surface Area109.19
Relative Psa0.2786
Polar Surface Area45.82
Druglikeness-7.6962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.6
Molecular Flexibility0.3819
Molecular Complexity0.65162
Fragments1
Non H Atoms10
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Acidic Oxygens1
SmilesCc(cccc1)c1[N+]([O-])=O
InChIKeyInChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIPLAZTCDQAHEYBI-UHFFFAOYSA-N

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