Cas no 1934415-58-3 (3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal)

3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal structure
1934415-58-3 structure
Product Name:3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal
CAS No:1934415-58-3
MF:C10H12ClNO
MW:197.661381721497
CID:5691770
PubChem ID:130705947
Update Time:2023-10-13

3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal
    • EN300-1619198
    • 1934415-58-3
    • 4-Pyridinepropanal, 3-chloro-α,α-dimethyl-
    • Inchi: 1S/C10H12ClNO/c1-10(2,7-13)5-8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3
    • InChI Key: HKJNEXTUHJOICP-UHFFFAOYSA-N
    • SMILES: ClC1C=NC=CC=1CC(C=O)(C)C

Computed Properties

  • Exact Mass: 197.0607417g/mol
  • Monoisotopic Mass: 197.0607417g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 2.1
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • Density: 1.133±0.06 g/cm3(Predicted)
  • Boiling Point: 276.6±25.0 °C(Predicted)
  • pka: 3.39±0.18(Predicted)

3-(3-Chloropyridin-4-yl)-2,2-dimethylpropanal Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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