Cas no 132734-42-0 (Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI))

Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI) structure
132734-42-0 structure
Product Name:Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI)
CAS No:132734-42-0
MF:C9H10N2O4
MW:210.186702251434
MDL:MFCD27958352
CID:1023180
PubChem ID:15334532
Update Time:2025-04-20

Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI)
    • 6-amino-2-methyl-3-nitro-benzoic acid methyl ester
    • 6-amino-2-methyl-3-nitrobenzoic acid methyl ester
    • SCHEMBL5310060
    • SY078698
    • AMY9117
    • 132734-42-0
    • Methyl 6-amino-2-methyl-3-nitrobenzoate
    • FCHYFMJAPJAFPN-UHFFFAOYSA-N
    • MFCD27958352
    • Methyl 2-methyl-3-nitro-6-aminobenzoate
    • MDL： MFCD27958352
    • Inchi： 1S/C9H10N2O4/c1-5-7(11(13)14)4-3-6(10)8(5)9(12)15-2/h3-4H,10H2,1-2H3
    • InChI Key： FCHYFMJAPJAFPN-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C(=CC=C(C=1C)[N+](=O)[O-])N)=O

Computed Properties

  • Exact Mass: 210.0641
  • 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: 1.8
  • Topological Polar Surface Area: 98.1?2

Experimental Properties

  • PSA: 95.46

Benzoic acid, 6-amino-2-methyl-3-nitro-, methyl ester (9CI) Pricemore >>

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