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CAS No.: | 335161-03-0 |
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Name: | AM-694 |
Molecular Structure: | |
Formula: | C20H19FINO |
Molecular Weight: | 435.28 |
Synonyms: | [1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl)methanone; |
Density: | 1.463 g/cm3 |
Boiling Point: | 546.731 °C at 760 mmHg |
Flash Point: | 284.453 °C |
PSA: | 22.00000 |
LogP: | 5.61670 |
The AM-694 is an organic compound with the formula C20H19FINO. The systematic name of this chemical is [1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl)methanone. With the CAS registry number 335161-03-0, it is also named as 1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole. Besides, its molecular weight is 435.273.
Physical properties about AM-694 are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8309; (6)ACD/BCF (pH 7.4): 8309; (7)ACD/KOC (pH 5.5): 22244; (8)ACD/KOC (pH 7.4): 22244; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 22 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 104.404 cm3; (14)Molar Volume: 297.563 cm3; (15)Polarizability: 41.389×10-24 cm3; (16)Surface Tension: 43.654 dyne/cm; (17)Density: 1.463 g/cm3; (18)Flash Point: 284.453 °C; (19)Enthalpy of Vaporization: 82.59 kJ/mol; (20)Boiling Point: 546.731 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
(2)InChIKey: LFFIIZFINPPEMC-UHFFFAOYAP
(3)Std. InChI: InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
(4)Std. InChIKey: LFFIIZFINPPEMC-UHFFFAOYSA-N