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CAS No.: | 403-01-0 |
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Name: | 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C8H7FO3 |
Molecular Weight: | 170.14 |
Synonyms: | 3-Fluoro-4-hydroxybenzoicacid methyl ester;Methyl 3-fluoro-4-hydroxybenzoate; |
Density: | 1.309 g/cm3 |
Melting Point: | 91-93℃ |
Boiling Point: | 259.9 °C at 760 mmHg |
Flash Point: | 111 °C |
PSA: | 46.53000 |
LogP: | 1.31790 |
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The CAS register number of Methyl 3-fluoro-4-hydroxybenzoate is 403-01-0. It also can be called as 3-Fluoro-4-hydroxy benzoic acid methyl ester and the IUPAC name about this chemical is methyl 3-fluoro-4-hydroxybenzoate. The molecular formula about this chemical is C8H7FO3 and the molecular weight is 170.14. It belongs to the following product categories, such as Blocks; Carboxes; FluoroCompounds; Pharmacetical and so on.
Physical properties about Methyl 3-fluoro-4-hydroxybenzoate are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 31.79; (5)ACD/BCF (pH 7.4): 10.88; (6)ACD/KOC (pH 5.5): 411.06; (7)ACD/KOC (pH 7.4): 140.7; (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: 51.76 kJ/mol; (18)Boiling Point: 259.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0078 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)OC)ccc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
(3)InChIKey: IYUSGKSCDUJSKS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
(5)Std. InChIKey: IYUSGKSCDUJSKS-UHFFFAOYSA-N