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CAS No.: | 143589-42-8 |
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Name: | Cyclobutanone, 3-(4-fluorophenyl)- |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H9FO |
Molecular Weight: | 164.179 |
Synonyms: | 3-(4-Fluorophenyl)cyclobutanone; |
Density: | 1.208 g/cm3 |
Boiling Point: | 255.7 °C at 760 mmHg |
Flash Point: | 98.9 °C |
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The chemical with CAS registry number of 143589-42-8 is known as Cyclobutanone, 3-(4-fluorophenyl)-. The systematic name is 3-(4-Fluorophenyl)cyclobutanone. In addition, the formula is C10H9FO and the molecular weight is 164.18.
Physical properties about Cyclobutanone, 3-(4-fluorophenyl)- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.04; (6)ACD/BCF (pH 7.4): 7.04; (7)ACD/KOC (pH 5.5): 140.64; (8)ACD/KOC (pH 7.4): 140.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 43.01 cm3; (14)Molar Volume: 135.8 cm3; (15)Surface Tension: 41.5 dyne/cm; (16)Density: 1.208 g/cm3; (17)Flash Point: 98.9 °C; (18)Enthalpy of Vaporization: 49.32 kJ/mol; (19)Boiling Point: 255.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0161 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Fc1ccc(cc1)C2CC(=O)C2
2. InChI: InChI=1/C10H9FO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
3. InChIKey: AHEDMEVWTIFKFX-UHFFFAOYAO
4. Std. InChI: InChI=1S/C10H9FO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
5. Std. InChIKey: AHEDMEVWTIFKFX-UHFFFAOYSA-N