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CAS No.: | 321-24-4 |
---|---|
Name: | 2-Fluoro-4-methoxybenzoic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H6ClFO2 |
Molecular Weight: | 188.586 |
Synonyms: | p-Anisoylchloride, 2-fluoro- (8CI);2-Fluoro-4-methoxybenzoyl chloride; |
Density: | 1.309 g/cm3 |
Melting Point: | 40-42℃ |
Boiling Point: | 242.9 °C at 760 mmHg |
Flash Point: | 105.3 °C |
PSA: | 26.30000 |
LogP: | 2.21330 |
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The CAS register number of Benzoyl chloride,2-fluoro-4-methoxy- is 321-24-4. It also can be called as 2-Fluoro-p-anisoyl chloride and the systematic name about this chemical is 2-fluoro-4-methoxybenzoyl chloride. The molecular formula about this chemical is C8H6ClFO2 and the molecular weight is 188.5834.
Physical properties about Benzoyl chloride,2-fluoro-4-methoxy- are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 2.06; (4)ACD/BCF (pH 5.5): 21.49; (5)ACD/BCF (pH 7.4): 21.49; (6)ACD/KOC (pH 5.5): 312.77; (7)ACD/KOC (pH 7.4): 312.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 43.16 cm3; (13)Molar Volume: 144 cm3; (14)Polarizability: 17.11x10-24cm3; (15)Surface Tension: 36.8 dyne/cm; (16)Enthalpy of Vaporization: 47.99 kJ/mol; (17)Boiling Point: 242.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0331 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(OC)ccc1C(Cl)=O
(2)InChI: InChI=1/C8H6ClFO2/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
(3)InChIKey: UHLDNUXKNREILG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6ClFO2/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
(5)Std. InChIKey: UHLDNUXKNREILG-UHFFFAOYSA-N