n-(3-fluorophenyl)anthranilic acid n-(3-fluorophenyl)anthranilic acid
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
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
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
ly: 宋体; mso-bidi-font-family: 宋体”>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
