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168823-76-5

Basic Information
CAS No.: 168823-76-5
Name: Pyridine, 5-bromo-2-(chloromethyl)- (9CI)
Article Data: 11
Molecular Structure:
Molecular Structure of 168823-76-5 (Pyridine, 5-bromo-2-(chloromethyl)- (9CI))
Formula: C6H5BrClN
Molecular Weight: 206.469
Synonyms: 5-Bromo-2-(chloromethyl)pyridine;
Density: 1.631 g/cm3
Boiling Point: 243.4 °C at 760 mmHg
Flash Point: 101 °C
PSA: 12.89000
LogP: 2.58290
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Specification

The Pyridine, 5-bromo-2-(chloromethyl)- has CAS registry number 168823-76-5. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is 5-Bromo-2-(chloromethyl)pyridine.

Physical properties about Pyridine, 5-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.18; (6)ACD/BCF (pH 7.4): 20.18; (7)ACD/KOC (pH 5.5): 299; (8)ACD/KOC (pH 7.4): 299.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 41.79 cm3; (15)Molar Volume: 126.5 cm3; (16)Polarizability: 16.57×10-24 cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.631 g/cm3; (19)Flash Point: 101 °C; (20)Enthalpy of Vaporization: 46.1 kJ/mol; (21)Boiling Point: 243.4 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(cc1)CCl
(2) InChI: InChI=1/C6H5BrClN/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3H2
(3) InChIKey: YESFMWFCJUGBLH-UHFFFAOYAR