Cas no 13684-28-1 (Methyl 2-hydroxy-4-nitrobenzoate)

Methyl 2-hydroxy-4-nitrobenzoate structure
13684-28-1 structure
Product Name:Methyl 2-hydroxy-4-nitrobenzoate
CAS No:13684-28-1
MF:C8H7NO5
MW:197.144882440567
MDL:MFCD11041295
CID:218423
PubChem ID:139539
Update Time:2025-04-19

Methyl 2-hydroxy-4-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-hydroxy-4-nitro-, methyl ester
    • 2-Hydroxy-4-nitro-benzoesaeure-methylester
    • 2-hydroxy-4-nitro-benzoic acid methyl ester
    • 4-nitro-2-hydroxy-benzoic acid methyl ester
    • AC1L3F31
    • AG-D-75063
    • CTK4C0506
    • methyl 2-hydroxy-4-nitro-benzoate
    • methyl 4-nitrosalicylate
    • methyl-2-hydroxy-4-nitrobenzoate
    • NSC165605
    • Salicylic acid, 4-nitro-, methyl ester
    • SureCN19117
    • Methyl 2-hydroxy-4-nitrobenzoate
    • Benzoic acid, 2-hydroxy-4-nitro-, methyl ester
    • 2-hydroxy-4-nitrobenzoic acid methyl ester
    • DODUOCYKSQVFSW-UHFFFAOYSA-N
    • Methyl4-Nitrosalicylate
    • 6960AJ
    • SY035252
    • AM806048
    • AC-29560
    • NSC-165605
    • AKOS006307565
    • CS-0036685
    • DTXSID10159972
    • A886614
    • SCHEMBL19117
    • 2-hydroxy-4-nitro benzoic acid methyl ester
    • AS-39607
    • 13684-28-1
    • NSC 165605
    • MFCD11041295
    • DB-334490
    • MDL： MFCD11041295
    • Inchi： 1S/C8H7NO5/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,10H,1H3
    • InChI Key： DODUOCYKSQVFSW-UHFFFAOYSA-N
    • SMILES： OC1C=C(C=CC=1C(=O)OC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.03241
  • Monoisotopic Mass: 197.03242232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 92.4

Experimental Properties

  • Density: 1.432±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 101-102 oC
  • Boiling Point: 324.5℃ at 760 mmHg
  • Solubility: Very slightly soluble (0.67 g/l) (25 o C),
  • PSA: 89.67

Methyl 2-hydroxy-4-nitrobenzoate Pricemore >>

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