Cas no 51818-99-6 (4-Amino-3-nitrobenzaldehyde)

4-Amino-3-nitrobenzaldehyde structure
4-Amino-3-nitrobenzaldehyde structure
Product Name:4-Amino-3-nitrobenzaldehyde
CAS No:51818-99-6
MF:C7H6N2O3
MW:166.13414144516
MDL:MFCD17170817
CID:1040348
PubChem ID:13237703
Update Time:2025-04-20

4-Amino-3-nitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3-nitrobenzaldehyde
    • 4-amino-3-nitro-benzaldehyde
    • AGN-PC-00LMP2
    • AK-79653
    • ANW-66249
    • Benzaldehyde, 4-amino-3-nitro-
    • CTK1G3969
    • MolPort-022-463-265
    • IIOCECYTBZBBAL-UHFFFAOYSA-N
    • A871162
    • AKOS016004757
    • CS-0043823
    • SCHEMBL2517648
    • DA-21399
    • 51818-99-6
    • MFCD17170817
    • DS-17720
    • Z1255430149
    • AM20040613
    • SCHEMBL7888739
    • C75433
    • 3-nitro-4-aminobenzaldehyde
    • BCA81899
    • EN300-124768
    • DTXSID60531007
    • DTXCID20481796
    • MDL: MFCD17170817
    • Inchi: 1S/C7H6N2O3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,8H2
    • InChI Key: IIOCECYTBZBBAL-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=O)C=CC=1N)=O

Computed Properties

  • Exact Mass: 166.03788
  • Monoisotopic Mass: 166.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 190
  • 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: 0.7
  • Topological Polar Surface Area: 88.9?2

Experimental Properties

  • PSA: 86.23
  • LogP: 2.09390

4-Amino-3-nitrobenzaldehyde Pricemore >>

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