Cas no 56279-49-3 (Octadecanoic acid, 2-chloro-)

Octadecanoic acid, 2-chloro- structure
Octadecanoic acid, 2-chloro- structure
Product Name:Octadecanoic acid, 2-chloro-
CAS No:56279-49-3
MF:C18H35ClO2
MW:318.922305345535
CID:349330
PubChem ID:13059777
Update Time:2025-04-19

Octadecanoic acid, 2-chloro- Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, 2-chloro-
    • 2-chlorooctadecanoic acid
    • TQP0744
    • AKOS040755728
    • chlorostearic acid
    • 2-chlorostearic acid
    • SCHEMBL246832
    • 56279-49-3
    • DTXSID00516737
    • PD088490
    • DQNLLSNNESIVOE-UHFFFAOYSA-N
    • 2-chloro Stearic Acid
    • 2-chloro-octadecanoicacid
    • HY-W399270
    • 2-chloro-stearic acid
    • CS-0510695
    • CHEBI:230606
    • Inchi: 1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
    • InChI Key: DQNLLSNNESIVOE-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)O)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 318.23275
  • Monoisotopic Mass: 318.2325580g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 16
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

Octadecanoic acid, 2-chloro- Pricemore >>

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