Cas no 3979-45-1 (2-Chloro-3-nitrobenzoic acid ethyl ester)

2-Chloro-3-nitrobenzoic acid ethyl ester structure
3979-45-1 structure
Product Name:2-Chloro-3-nitrobenzoic acid ethyl ester
CAS No:3979-45-1
MF:C9H8ClNO4
MW:229.617121696472
CID:293137
PubChem ID:12909402
Update Time:2025-04-19

2-Chloro-3-nitrobenzoic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 2-chloro-3-nitro-, ethyl ester
    • ethyl 2-chloro-3-nitrobenzoate
    • ETHYL-2-CHLORO-3-NITROBENZOATE
    • Benzoic acid, 2-chloro-3-nitro-, ethyl ester
    • CS-0332444
    • AKOS027441722
    • ethyl2-chloro-3-nitrobenzoate
    • ethyl 2-chloro-3-nitro-benzoate
    • MFCD06797986
    • 2-chloro-3-nitro-benzoic acid ethyl ester
    • 3979-45-1
    • SCHEMBL4135400
    • RFKXQGCBYQQWNX-UHFFFAOYSA-N
    • DB-334098
    • G85658
    • 2-Chloro-3-nitrobenzoic acid ethyl ester
    • Inchi: 1S/C9H8ClNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3
    • InChI Key: RFKXQGCBYQQWNX-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=CC=1C(=O)OCC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 229.0141854g/mol
  • Monoisotopic Mass: 229.0141854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 253
  • 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: 2.6
  • Topological Polar Surface Area: 72.1?2

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2-Chloro-3-nitrobenzoic acid ethyl ester Related Literature

  • 1. CXIV.—The influence of nitro-groups on the reactivity of substituents in the benzene nucleus. Part IV. The condensation of ethyl 3- and 5-nitro-2-chlorobenzoates with hydrazines
    James Kenner,Ernest Witham J. Chem. Soc. Trans. 1921 119 1053
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