Cas no 116448-91-0 (Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester)

Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester structure
116448-91-0 structure
Product Name:Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester
CAS No:116448-91-0
MF:C9H10N2O4
MW:210.186702251434
CID:131209
PubChem ID:45089359
Update Time:2025-04-19

Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester
    • 5-amino-2-methyl-4-nitroBenzoic acid methyl ester
    • methyl 5-amino-2-methyl-4-nitrobenzoate
    • CTK8G6299
    • SureCN2555156
    • Benzoic acid, 5-amino-2-methyl-4-nitro-, methyl ester (9CI)
    • DTXSID50666453
    • 116448-91-0
    • FT-0715120
    • CIOLBXFIRSNSRA-UHFFFAOYSA-N
    • G11292
    • SB79234
    • SCHEMBL2555156
    • Inchi: 1S/C9H10N2O4/c1-5-3-8(11(13)14)7(10)4-6(5)9(12)15-2/h3-4H,10H2,1-2H3
    • InChI Key: CIOLBXFIRSNSRA-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C(=CC=1C)[N+](=O)[O-])N)=O

Computed Properties

  • Exact Mass: 210.06400
  • Monoisotopic Mass: 210.064
  • 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
  • Topological Polar Surface Area: 98.1A^2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 98.14000
  • LogP: 2.37640

Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1604295-250mg
Methyl 5-amino-2-methyl-4-nitrobenzoate
116448-91-0 98%
250mg
¥2811.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1604295-1g
Methyl 5-amino-2-methyl-4-nitrobenzoate
116448-91-0 98%
1g
¥7129.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1604295-2.5g
Methyl 5-amino-2-methyl-4-nitrobenzoate
116448-91-0 98%
2.5g
¥12412.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1604295-5g
Methyl 5-amino-2-methyl-4-nitrobenzoate
116448-91-0 98%
5g
¥22755.00 2024-08-09

Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Related Literature

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