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850834-38-7

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Basic Information
CAS No.: 850834-38-7
Name: (R)-1-(3-Fluorophenyl)pyrrolidin-3-ol
Molecular Structure:
Molecular Structure of 850834-38-7 ((R)-1-(3-Fluorophenyl)pyrrolidin-3-ol)
Formula: C10H12FNO
Molecular Weight: 181.21
Density: 1.248 g/cm3
Boiling Point: 312.6 °C at 760 mmHg
Flash Point: 142.8 °C
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  • (R)-1-(3-Fluorophenyl)pyrrolidin-3-ol CAS 850834-38-7

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    (R)-1-(3-Fluorophenyl)pyrrolidin-3-ol CAS 850834-38-7

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Specification

The (R)-1-(3-Fluorophenyl)pyrrolidin-3-ol, with the CAS registry number 850834-38-7, is also called 1-(3-fluorophenyl)pyrrolidin-3-ol . It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H12FNO.

The characteristics of (R)-1-(3-Fluorophenyl)pyrrolidin-3-ol are as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 52.19; (8)ACD/KOC (pH 7.4): 85.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 48.04 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 19.04×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 58.45 kJ/mol; (21)Boiling Point: 312.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000224 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(c1)N2CCC(O)C2
(2)InChI: InChI=1/C10H12FNO/c11-8-2-1-3-9(6-8)12-5-4-10(13)7-12/h1-3,6,10,13H,4-5,7H2
(3)InChIKey: YZSNQEGPANCTAL-UHFFFAOYAR