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823188-58-5

Basic Information
CAS No.: 823188-58-5
Name: (R)-2-(2-Chlorophenyl)pyrrolidine
Article Data: 3
Molecular Structure:
Molecular Structure of 823188-58-5 ((R)-2-(2-Chlorophenyl)pyrrolidine)
Formula: C10H12ClN
Molecular Weight: 181.665
Synonyms: (R)-2-(2-Chlorophenyl)pyrrolidine
Density: 1.129 g/cm3
Boiling Point: 254.1 °C at 760 mmHg
Flash Point: 107.5 °C
PSA: 12.03000
LogP: 3.09330
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Specification

The (R)-2-(2-Chlorophenyl)pyrrolidine with the cas registry number of 823188-58-5 belongs to the product categories of API intermediates. This chemical's molecular formula is C10H12ClN and formula weight is 181.66. It is also known as (2R)-2-(2-Chlorophenyl)pyrrolidine and Pyrrolidine, 2-(2-chlorophenyl)-, (2R)-. What's more, its systematic name is called (2R)-2-(2-Chlorophenyl)pyrrolidine.

Physical properties about this chemical are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.2; (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): 1.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 51.13 cm3; (15)Molar Volume: 160.8 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.129 g/cm3; (18)Flash Point: 107.5 °C; (19)Enthalpy of Vaporization: 49.15 kJ/mol; (20)Boiling Point: 254.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1[C@@H]2NCCC2;
(2)InChI: InChI=1/C10H12ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2/t10-/m1/s1;
(3)InChIKey: AFXDPDJNNABZGP-SNVBAGLBBE;
(4)Std. InChI: InChI=1S/C10H12ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2/t10-/m1/s1;
(5)Std. InChIKey: AFXDPDJNNABZGP-SNVBAGLBSA-N.