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CAS No.: | 336101-27-0 |
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Name: | 2,4-DIMETHOXY-4'-FLUOROCHALCONE, 97 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H15FO3 |
Molecular Weight: | 286.301 |
Synonyms: | 2,4-Dimethoxy-4'-fluorochalcone, 97; |
Density: | 1.182 g/cm3 |
Melting Point: | 117 °C |
Boiling Point: | 445.1 °C at 760 mmHg |
Flash Point: | 215.1 °C |
Appearance: | Light yellow powder |
PSA: | 35.53000 |
LogP: | 3.73900 |
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The CAS register number of 2-Propen-1-one,3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)- is 336101-27-0. It also can be called as 2,4-Dimethoxy-4'-fluorochalcone, 97 and the systematic name about this chemical is (2E)-3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one. The molecular formula about this chemical is C17H15FO3 and the molecular weight is 286.301.
Physical properties about 2-Propen-1-one,3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)- are: (1)ACD/LogP: 4.07; (2)ACD/LogD (pH 5.5): 4.06; (3)ACD/LogD (pH 7.4): 4.06; (4)ACD/BCF (pH 5.5): 723.42; (5)ACD/BCF (pH 7.4): 723.42; (6)ACD/KOC (pH 5.5): 3875.74; (7)ACD/KOC (pH 7.4): 3875.74; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 80.45 cm3; (13)Molar Volume: 242 cm3; (14)Polarizability: 31.89x10-24cm3; (15)Surface Tension: 40.7 dyne/cm; (16)Density: 1.182 g/cm3; (17)Flash Point: 215.1 °C; (18)Enthalpy of Vaporization: 70.3 kJ/mol; (19)Boiling Point: 445.1 °C at 760 mmHg; (20)Vapour Pressure: 4.06E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(=O)\C=C\c2ccc(OC)cc2OC
(2)InChI: InChI=1/C17H15FO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3/b10-6+
(3)InChIKey: BZMXLKULLDWQBK-UXBLZVDNBZ
(4)Std. InChI: InChI=1S/C17H15FO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3/b10-6+
(5)Std. InChIKey: BZMXLKULLDWQBK-UXBLZVDNSA-N