Cas no 1394348-62-9 (Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-)

Benzoic acid, 2-chloro-5-(3-pyridinyloxy)- structure
1394348-62-9 structure
Product Name:Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-
CAS No:1394348-62-9
MF:C12H8ClNO3
MW:249.649822235107
CID:2140816
Update Time:2023-08-04

Benzoic acid, 2-chloro-5-(3-pyridinyloxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-(pyridin-3-yloxy)-benzoic acid
    • Benzoic acid, 2-chloro-5-(3-pyridinyloxy)-
    • Inchi: 1S/C12H8ClNO3/c13-11-4-3-8(6-10(11)12(15)16)17-9-2-1-5-14-7-9/h1-7H,(H,15,16)
    • InChI Key: LCKRKTZWIARXSR-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1C(=O)O)OC1C=NC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • XLogP3: 2
  • Topological Polar Surface Area: 59.4
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