Cas no 2227855-09-4 ((2S)-4-(5-nitropyridin-2-yl)butan-2-ol)

(2S)-4-(5-nitropyridin-2-yl)butan-2-ol structure
2227855-09-4 structure
Product Name:(2S)-4-(5-nitropyridin-2-yl)butan-2-ol
CAS No:2227855-09-4
MF:C9H12N2O3
MW:196.203182220459
CID:5774835
PubChem ID:165627299
Update Time:2023-11-15

(2S)-4-(5-nitropyridin-2-yl)butan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 2227855-09-4
    • EN300-1784259
    • (2S)-4-(5-nitropyridin-2-yl)butan-2-ol
    • Inchi: 1S/C9H12N2O3/c1-7(12)2-3-8-4-5-9(6-10-8)11(13)14/h4-7,12H,2-3H2,1H3/t7-/m0/s1
    • InChI Key: GISPDEQPVBAOCH-ZETCQYMHSA-N
    • SMILES: O[C@@H](C)CCC1C=CC(=CN=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 196.08479225g/mol
  • Monoisotopic Mass: 196.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 78.9?2

(2S)-4-(5-nitropyridin-2-yl)butan-2-ol Pricemore >>

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