Phenyl Isonicotinate (CAS: 94-00-8) - Chemical Structure and Molecular Formula
Phenyl Isonicotinate (CAS: 94-00-8) - Chemical Structure Thumbnail

Phenyl Isonicotinate

Catalog No:   FT-0693837

CAS No:   94-00-8

  • Chemical Name:  Phenyl Isonicotinate
  • Molecular Formula:  C12H9NO2
  • Molecular Weight:  199.2
  • InChI Key:  RGQQGHGIUCRECH-UHFFFAOYSA-N
  • InChI:  InChI=1S/C12H9NO2/c14-12(10-6-8-13-9-7-10)15-11-4-2-1-3-5-11/h1-9H
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: Phenyl Isonicotinate
Flash_Point: 158.8ºC
Melting_Point: 72ºC
FW: 199.20500
Density: 1.199g/cm3
CAS: 94-00-8
Bolling_Point: 338.9ºC at 760 mmHg
MF: C12H9NO2
Molecular_Structure: ['1 . Molar refractive index 5598 ', '2 . Molar volume 1660 ', '3 . Parachor （902K）4388 ± ', '4 . Surface tension 487 ', '5 . Polarizability 2219']
LogP: 2.30080
Flash_Point: 158.8ºC
Refractive_Index: 1.589
FW: 199.20500
Density: 1.199g/cm3
Bolling_Point: 338.9ºC at 760 mmHg
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 392 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 72ºC
PSA: 39.19000
Exact_Mass: 199.06300
MF: C12H9NO2
HS_Code: 2933399090

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