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| CAS No.: | 70163-98-3 |
|---|---|
| Name: | 3-FLUORO-2-HYDROXY-BENZOIC ACID METHYL ESTER |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H7FO3 |
| Molecular Weight: | 170.14 |
| Synonyms: | 3-Fluorosalicylicacid methyl ester;Methyl 3-fluorosalicylate; |
| Density: | 1.309 g/cm3 |
| Melting Point: | 46-47 °C |
| Boiling Point: | 211.7 °C at 760 mmHg |
| Flash Point: | 81.8 °C |
| PSA: | 46.53000 |
| LogP: | 1.31790 |
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- Total:16 Page 1 of 1 1
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Specification
The CAS register number of Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester is 70163-98-3. It also can be called as 3-Fluorosalicylicacid methyl ester and the systematic name about this chemical is methyl 3-fluoro-2-hydroxybenzoate. The molecular formula about this chemical is C8H7FO3 and the molecular weight is 170.14. It belongs to the following product categories which include Pharmacetical; Benzoic acid and so on.
Physical properties about Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester are: (1)D/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 62.19; (5)ACD/BCF (pH 7.4): 57.65; (6)ACD/KOC (pH 5.5): 669.01; (7)ACD/KOC (pH 7.4): 620.17; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 39.9 cm3; (14)Molar Volume: 129.9 cm3; (15)Polarizability: 15.81x10-24cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Enthalpy of Vaporization: 46.62 kJ/mol; (18)Boiling Point: 211.7 °C at 760 mmHg; (19)Vapour Pressure: 0.124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(C(=O)OC)c1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
(3)InChIKey: NRGQRZHYRCJTKV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
(5)Std. InChIKey: NRGQRZHYRCJTKV-UHFFFAOYSA-N