3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Weight261.237 g/mol
FormulaC12H11N3O4
Hydrogen Acceptors5
Hydrogen Donors1
Aromatic Rings2
Rotatable Bonds4

3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (491831-82-4)

491831-82-4

Suppliers

Alternate Names

  • 491831-82-4
  • SMILES
    CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]
  • InChIKey
    IDBOQHVHOATSKD-UHFFFAOYSA-N

Estimated Properties

Boiling Point 369.06 C EPA T.E.S.T.
Boiling Point 428.11 C EPI Suite
Density 1.46 g/cm3 EPA T.E.S.T.
Flash Point 244.41 C EPA T.E.S.T.
Melting Point 179.02 C EPI Suite
Water Solubility 97.83 mg/L EPA T.E.S.T.
Water Solubility 77.111 mg/L EPI Suite

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