Cas no 13295-81-3 ((5-nitrofuran-2-yl)methyl 3-chloropropanoate)

(5-nitrofuran-2-yl)methyl 3-chloropropanoate structure
13295-81-3 structure
Product Name:(5-nitrofuran-2-yl)methyl 3-chloropropanoate
CAS No:13295-81-3
MF:C8H8ClNO5
MW:233.605821609497
CID:1231419
PubChem ID:220795
Update Time:2025-04-20

(5-nitrofuran-2-yl)methyl 3-chloropropanoate Chemical and Physical Properties

Names and Identifiers

    • (5-nitrofuran-2-yl)methyl 3-chloropropanoate
    • KST-1A1691
    • AR-1A6391
    • 3-chloro-propionic acid-(5-nitro-furfuryl ester)
    • AC1Q5B0B
    • 3-Chlor-propionsaeure-(5-nitro-furfur-2-yl-ester)
    • NSC4099
    • 3-Chlor-propionsaeure-(5-nitro-furfurylester)
    • CTK4B8266
    • AG-K-88308
    • AC1L59C6
    • KST-1A1691; AR-1A6391; 3-chloro-propionic acid-(5-nitro-furfuryl ester); AC1Q5B0B; 3-Chlor-propionsaeure-(5-nitro-furfur-2-yl-ester); NSC4099; 3-Chlor-propionsaeure-(5-nitro-furfurylester); CTK4B8266; AG-K-88308; AC1L59C6;
    • NSC-4099
    • 13295-81-3
    • DTXSID60277776
    • Inchi: 1S/C8H8ClNO5/c9-4-3-8(11)14-5-6-1-2-7(15-6)10(12)13/h1-2H,3-5H2
    • InChI Key: WOHKMXWHZYDNNR-UHFFFAOYSA-N
    • SMILES: ClCCC(=O)OCC1=CC=C([N+](=O)[O-])O1

Computed Properties

  • Exact Mass: 233.00914
  • Monoisotopic Mass: 233.0091000g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 242
  • 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: 1.4
  • Topological Polar Surface Area: 85.3?2

Experimental Properties

  • PSA: 82.58

(5-nitrofuran-2-yl)methyl 3-chloropropanoate Related Literature

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