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Basic Information
CAS No.: 80120-00-9
Name: 4-(3-FLUORO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE HYDROCHLORIDE SALT
Molecular Structure:
Molecular Structure of 80120-00-9 (4-(3-FLUORO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE HYDROCHLORIDE SALT)
Formula: C11H13ClFN
Molecular Weight: 213.6790232
Synonyms: 4-(3-Fluorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride;Pyridine,4-(3-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (9CI);
Boiling Point: 318.7 °C at 760 mmHg
Flash Point: 146.5 °C
PSA: 12.03000
LogP: 3.33320
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Specification

The 4-(3-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, with CAS registry number 80120-00-9, has the systematic name of 4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride. Besides this, it is also called pyridine, 4-(3-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1). And the chemical formula of this chemical is C11H13ClFN.

Physical properties of 4-(3-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.75; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.03 Å2; (12)Flash Point: 140 °C; (13)Enthalpy of Vaporization: 55.95 kJ/mol; (14)Boiling Point: 307.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000523 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc1cc(ccc1)C\2=C\CNCC/2
(2)InChI: InChI=1/C11H12FN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-4,8,13H,5-7H2;1H
(3)InChIKey: UCOXWJVLQNNXLY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H12FN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-4,8,13H,5-7H2;1H
(5)Std. InChIKey: UCOXWJVLQNNXLY-UHFFFAOYSA-N