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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