structural formula

business number	016f
molecular formula	c13h10fno2
molecular weight	231.22
label	n-(3-fluorophenyl)anthranilic acid, 2-((3-fluorophenyl)amino)-benzoic acid

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:54-59-1

mdl number:mfcd01675228

einecs number:none

rtecs number:cb3060000

brn number:none

pubchem id:none

physical property data

none

toxicological data

1, acute toxicity: mouse abdominal cavity ld50: 362mg/kg;

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 62.55

2. molar volume (m³/mol): 172.2

3. isotonic specific volume (90.2k):469.8

4. surface tension (dyne/cm):55.4

5. polarizability（10^-24cm³): 24.79

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa):49.3

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 272

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

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