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CAS No.: | 550346-18-4 |
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Name: | 2-Acetamido-3-fluorobenzoic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8 F N O3 |
Molecular Weight: | 197.166 |
Synonyms: | Benzoic acid, 2-(acetylamino)-3-fluoro- (9CI);2-Acetamido-3-fluorobenzoic acid;2-(acetylamino)-3-fluorobenzoic acid; |
Density: | 1.415 g/cm3 |
Boiling Point: | 401.6 °C at 760 mmHg |
Flash Point: | 196.7 °C |
PSA: | 66.40000 |
LogP: | 1.55530 |
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The 2-Acetamido-3-fluorobenzoic acid with cas registry number of 550346-18-4, is also called Benzoic acid, 2-(acetylamino)-3-fluoro- (9CI) ; 2-Acetamido-3-fluorobenzoic acid ; 2-(acetylamino)-3-fluorobenzoic acid . 2-Acetamido-3-fluorobenzoic acid belongs to the following product categories: (1)AMINOACID;(2)Phenylacetic acid.
Properties of 2-Acetamido-3-fluorobenzoic acid : (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 47.44 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 68.83 kJ/mol; (19)Vapour Pressure: 3.58E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:O=C(Nc1c(cccc1F)C(=O)O)C; (2)InChI:InChI=1/C9H8FNO3/c1-5(12)11-8-6(9(13)14)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14); (3)InChIKey:CRYXMLONVFAWEC-UHFFFAOYAT; (4)Std. InChI:InChI=1S/C9H8FNO3/c1-5(12)11-8-6(9(13)14)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14); (5)Std. InChIKey:CRYXMLONVFAWEC-UHFFFAOYSA-N.