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