3-(PYRIMIDIN-2-YL)BENZOIC ACID


Catalog No:   FT-0691938

CAS No:   579476-26-9

  • Chemical Name:  3-(PYRIMIDIN-2-YL)BENZOIC ACID
  • Molecular Formula:  C11H8N2O2
  • Molecular Weight:  200.19
  • InChI Key:  KLTNGIZIUGYITR-UHFFFAOYSA-N
  • InChI:  InChI=1S/C11H8N2O2/c14-11(15)9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H,(H,14,15)

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: 3-Pyrimidin-2-yl-benzoic acid
Flash_Point: 147.1±25.7 °C
Melting_Point: N/A
FW: 200.193
Density: 1.3±0.1 g/cm3
CAS: 579476-26-9
Bolling_Point: 319.6±34.0 °C at 760 mmHg
MF: C11H8N2O2
Density: 1.3±0.1 g/cm3
Computational_Chemistry: ['1 . XlogP 2 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 659 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 221 ', '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']
LogP: 2.27
Flash_Point: 147.1±25.7 °C
Refractive_Index: 1.620
FW: 200.193
PSA: 63.08000
MF: C11H8N2O2
Bolling_Point: 319.6±34.0 °C at 760 mmHg
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Exact_Mass: 200.058578
Hazard_Codes: Xi
HS_Code: 2933599090

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