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Basic Information
CAS No.: 108166-22-9
Name: 4-[(2-methylbenzoyl)amino]benzoic acid
Molecular Structure:
Molecular Structure of 108166-22-9 (4-[(2-methylbenzoyl)amino]benzoic acid)
Formula: C15H13NO3
Molecular Weight: 255.273
Synonyms: 4-(2-methylbenzamido)benzoicacid;4-(2-methylbenzoylamino)benzoic acid;
Density: 1.295 g/cm3
Boiling Point: 374.575 °C at 760 mmHg
Flash Point: 180.337 °C
PSA: 66.40000
LogP: 3.01850
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Chemistry

Molecular Structure of 4-(2-methylbenzamido)benzoic acid (CAS NO.108166-22-9):

Empirical Formula: C15H13NO3
Molecular Weight: 255.2686
ACD/LogP: 1.67
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2
ACD/LogD (pH 7.4): 0
ACD/BCF (pH 5.5): 5
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 44
ACD/KOC (pH 7.4): 1
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 66.4 Å2
Index of Refraction: 1.658
Molar Refractivity: 72.583 cm3
Molar Volume: 197.109 cm3
Surface Tension: 59.165 dyne/cm
Density: 1.295 g/cm3
Flash Point: 180.337 °C
Enthalpy of Vaporization: 65.615 kJ/mol
Boiling Point: 374.575 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C