Cas no 146948-44-9 (Methyl 3-Amino-2-methyl-5-nitrobenzoate)

Methyl 3-Amino-2-methyl-5-nitrobenzoate structure
146948-44-9 structure
Product Name:Methyl 3-Amino-2-methyl-5-nitrobenzoate
CAS No:146948-44-9
MF:C9H10N2O4
MW:210.186702251434
CID:100960
PubChem ID:24728932
Update Time:2025-04-18

Methyl 3-Amino-2-methyl-5-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-amino-2-methyl-5-nitrobenzoate
    • 3-Amino-2-methyl-5-nitro-benzoic acid methyl ester
    • Benzoic acid,3-amino-2-methyl-5-nitro-, methyl ester
    • 3-Amino-2-methyl-5-nitro-benzoic acid methyl ester
    • 4-AMINO-2-METHYL-5-NITRO-BENZOIC ACID METHYL ESTER
    • methyl 3-amino-2-methyl-5-nitrobenzoate
    • Benzoic acid, 3-amino-2-methyl-5-nitro-, methyl ester (9CI)
    • SCHEMBL1945443
    • BFLLYARQPPIGME-UHFFFAOYSA-N
    • methyl3-amino-2-methyl-5-nitrobenzoate
    • SB79464
    • Benzoic acid, 3-amino-2-methyl-5-nitro-, methyl ester
    • 146948-44-9
    • F18399
    • CS-0370846
    • Methyl 3-Amino-2-methyl-5-nitrobenzoate
    • Inchi： 1S/C9H10N2O4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,10H2,1-2H3
    • InChI Key： BFLLYARQPPIGME-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C=C(C=1C)N)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 210.06400
  • Monoisotopic Mass: 210.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 263
  • 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: 1.3
  • Topological Polar Surface Area: 98.1?2

Experimental Properties

  • Refractive Index: 1.596
  • PSA: 98.14000
  • LogP: 2.37640

Methyl 3-Amino-2-methyl-5-nitrobenzoate Pricemore >>

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