2-Acetamido-3-fluorobenzoic acid supplier

Name
2-Acetamido-3-fluorobenzoic acid
EINECS
CAS No. 550346-18-4
Article Data2
CAS DataBase
Density 1.415 g/cm³
Solubility
Melting Point
Formula C₉H₈ F N O₃
Boiling Point 401.6 °C at 760 mmHg
Molecular Weight 197.166
Flash Point 196.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2-(acetylamino)-3-fluoro- (9CI);2-Acetamido-3-fluorobenzoic acid;2-(acetylamino)-3-fluorobenzoic acid;
PSA 66.40000
LogP 1.55530

2-Acetamido-3-fluorobenzoic acid Specification

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.

Product Name

2-Acetamido-3-fluorobenzoic acid

2-Acetamido-3-fluorobenzoic acid Specification

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