Cas no 6316-03-6 ({2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid)

{2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid structure
6316-03-6 structure
Product Name:{2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
CAS No:6316-03-6
MF:C13H23NO
MW:209.327823877335
CID:958951
PubChem ID:228181
Update Time:2025-04-19

{2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid Chemical and Physical Properties

Names and Identifiers

    • {2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
    • Dicyclohexyl-jod-boran; Dicyclohexylketon-oxim; Dicyclohexyliodoborane solution; Dicyclohexyliodoborane; SureCN8953848; 416916_ALDRICH; B-iododicyclohexylborane; dicyclohexyl-iodo-borane; 423319_ALDRICH; Dicyclohexyljodboran; Dicyclohexyl-keton-oxim; AC1NCEI8; CTK5A3524; dicyclohexyl ketone oxime; Dicyclohexylboryl iodide; dicyclohexyliodoborane;
    • Cyclohexyl ketone, oxime
    • 6316-03-6
    • SCHEMBL1986457
    • NSC-20851
    • DTXSID10979137
    • NSC20851
    • dicyclohexylmethanone oxime
    • N-(dicyclohexylmethylidene)hydroxylamine
    • Inchi: 1S/C13H23NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,15H,1-10H2
    • InChI Key: LPBIYXNPXGJEFN-UHFFFAOYSA-N
    • SMILES: O/N=C(\C1CCCCC1)/C1CCCCC1

Computed Properties

  • Exact Mass: 352.04629
  • Monoisotopic Mass: 209.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: 4.4
  • Topological Polar Surface Area: 32.6?2

Experimental Properties

  • PSA: 104.22
  • LogP: 3.97720
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