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| CAS No.: | 773873-26-0 |
|---|---|
| Name: | 2,3-DIFLUORO-4-METHOXYBENZOIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H6F2O3 |
| Molecular Weight: | 188.131 |
| Synonyms: | 2,3-Difluoro-6-methoxybenzoicacid;5,6-Difluoro-o-anisic acid; |
| Density: | 1.399 g/cm3 |
| Melting Point: | 126-129°C |
| Boiling Point: | 275 °C at 760 mmHg |
| Flash Point: | 120.1 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 46.53000 |
| LogP: | 1.67160 |
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- Total:26 Page 1 of 1 1
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Specification
The 2,3-Difluoro-6-methoxybenzoic acid with the CAS number 773873-26-0 is also called Benzoic acid,2,3-difluoro-6-methoxy-. Its molecular formula is C8H6F2O3. This chemical belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (3)Benzoic acid.
The properties of the chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 39.84 cm3; (13)Molar Volume: 134.3 cm3; (14)Polarizability: 15.79×10-24cm3; (15)Surface Tension: 41.1 dyne/cm; (16)Enthalpy of Vaporization: 54.23 kJ/mol; (17)Vapour Pressure: 0.00254 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(OC)c(C(=O)O)c1F
(2)InChI: InChI=1/C8H6F2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,1H3,(H,11,12)
(3)InChIKey: MMTKYWQMCSZCGW-UHFFFAOYAH