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N-(3-fluorophenyl)anthranilic acid

N-(3-fluorophenyl)anthranilic acid structural formula

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. Polarizability10-24cm3): 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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