Cas no 39720-17-7 (Phenol, 2-(2-benzoxazolyl)-5-methyl-)

Phenol, 2-(2-benzoxazolyl)-5-methyl- structure
39720-17-7 structure
Product Name:Phenol, 2-(2-benzoxazolyl)-5-methyl-
CAS No:39720-17-7
MF:C14H11NO2
MW:225.242643594742
MDL:MFCD32632050
CID:1514650
PubChem ID:136251941
Update Time:2025-04-21

Phenol, 2-(2-benzoxazolyl)-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-(2-benzoxazolyl)-5-methyl-
    • 6-(3H-1,3-benzoxazol-2-ylidene)-3-methylcyclohexa-2,4-dien-1-one
    • 39720-17-7
    • DTXSID70741574
    • CS-0196082
    • MFCD32632050
    • 2-(1,3-benzoxazol-2-yl)-5-methylphenol
    • 6-(1,3-Benzoxazol-2(3H)-ylidene)-3-methylcyclohexa-2,4-dien-1-one
    • 2-(Benzo[d]oxazol-2-yl)-5-methylphenol
    • SCHEMBL7053445
    • E95464
    • MDL: MFCD32632050
    • Inchi: 1S/C14H11NO2/c1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14/h2-8,16H,1H3
    • InChI Key: ROOPDTBXECUNLI-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2N=C1C1C=CC(C)=CC=1O

Computed Properties

  • Exact Mass: 225.07903
  • Monoisotopic Mass: 225.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 271
  • 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: 3.4
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26

Phenol, 2-(2-benzoxazolyl)-5-methyl- Pricemore >>

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