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127590-90-3

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Basic Information
CAS No.: 127590-90-3
Name: 5-(BENZYLOXY)-2-(CHLOROMETHYL)PYRIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 127590-90-3 (5-(BENZYLOXY)-2-(CHLOROMETHYL)PYRIDINE)
Formula: C13H12ClNO
Molecular Weight: 233.697
Synonyms: 3-(Benzyloxy)-6-(chloromethyl)pyridine;5-Benzyloxy-2-chloromethylpyridine;
Density: 1.198 g/cm3
Boiling Point: 365.403 °C at 760 mmHg
Flash Point: 174.79 °C
PSA: 22.12000
LogP: 3.39940
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Specification

The Pyridine, 2-(chloromethyl)-5-(phenylmethoxy)-, with the CAS registry number 127590-90-3, is also known as 5-Benzyloxy-2-(chloromethyl)pyridine. This chemical's molecular formula is C13H12ClNO and molecular weight is 233.70. What's more, its IUPAC name is 2-(Chloromethyl)-5-phenylmethoxypyridine.

Physical properties about Pyridine, 2-(chloromethyl)-5-(phenylmethoxy)- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.721; (5)ACD/BCF (pH 5.5): 68.789; (6)ACD/BCF (pH 7.4): 68.823; (7)ACD/KOC (pH 5.5): 719.197; (8)ACD/KOC (pH 7.4): 719.553; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 65.276 cm3; (15)Molar Volume: 195.056 cm3; (16)Polarizability: 25.877×10-24 cm3; (17)Surface Tension: 45.104 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 174.79 °C; (20)Enthalpy of Vaporization: 58.763 kJ/mol; (21)Boiling Point: 365.403 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COc2ccc(nc2)CCl
(2) InChI: InChI=1/C13H12ClNO/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2
(3) InChIKey: CTWNTPDUEZHHNW-UHFFFAOYAK