Cas no 234751-05-4 (Benzoic acid, 4-[(2-methylpropyl)amino]-3-nitro-)

Benzoic acid, 4-[(2-methylpropyl)amino]-3-nitro- structure
234751-05-4 structure
Product Name:Benzoic acid, 4-[(2-methylpropyl)amino]-3-nitro-
CAS No:234751-05-4
MF:C11H14N2O4
MW:238.239862918854
MDL:MFCD02112880
CID:1414388
PubChem ID:15994443
Update Time:2025-04-20

Benzoic acid, 4-[(2-methylpropyl)amino]-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(2-methylpropyl)amino]-3-nitro-
    • 4-(ISOBUTYLAMINO)-3-NITROBENZOIC ACID
    • 4-(2-methylpropylamino)-3-nitrobenzoic acid
    • SB80672
    • 4-(ISOBUTYLAMINO)-3-NITROBENZOICACID
    • 4-[(2-methylpropyl)amino]-3-nitrobenzoic acid
    • SR-01000575321-1
    • DTXSID401253232
    • AKOS000214546
    • Oprea1_214958
    • 234751-05-4
    • EU-0062804
    • SR-01000575321
    • MDL: MFCD02112880
    • Inchi: 1S/C11H14N2O4/c1-7(2)6-12-9-4-3-8(11(14)15)5-10(9)13(16)17/h3-5,7,12H,6H2,1-2H3,(H,14,15)
    • InChI Key: DJQWTRGDTHEWOP-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C(=O)O)C=CC=1NCC(C)C)=O

Computed Properties

  • Exact Mass: 238.09535693g/mol
  • Monoisotopic Mass: 238.09535693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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: 3.1
  • Topological Polar Surface Area: 95.2?2

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