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84163-64-4

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Basic Information
CAS No.: 84163-64-4
Name: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE
Article Data: 4
Molecular Structure:
Molecular Structure of 84163-64-4 (5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE)
Formula: C12H13FN2O
Molecular Weight: 220.246
Synonyms: 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole;
Density: 1.216 g/cm3
Boiling Point: 359 °C at 760 mmHg
Flash Point: 170.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 38.06000
LogP: 2.76270
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Specification

This chemical is called 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, and its systematic name is 5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole. With the molecular formula of C12H13FN2O, its molecular weight is 220.24. The CAS registry number of this chemical is 84163-64-4.

Other characteristics of the 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)- can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 59.07 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 23.42×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 170.9 °C; (20)Enthalpy of Vaporization: 60.45 kJ/mol; (21)Boiling Point: 359 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc3cc1c(onc1C2CCNCC2)cc3
2.InChI: InChI=1/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
3.InChIKey: GGRZCCWFABLKCX-UHFFFAOYAX