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89694-54-2

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Basic Information
CAS No.: 89694-54-2
Name: 2-Bromo-3-ethoxypyridine
Article Data: 9
Molecular Structure:
Molecular Structure of 89694-54-2 (2-Bromo-3-ethoxypyridine)
Formula: C7H8BrNO
Molecular Weight: 202.051
Synonyms: 2-Bromo-3-ethoxypyridine;
Density: 1.45g/cm3
Boiling Point: 249.437 °C at 760 mmHg
Flash Point: 104.656 °C
PSA: 22.12000
LogP: 2.24280
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Specification

The 2-Bromo-3-ethoxypyridine, with CAS registry number 89694-54-2, belongs to the following product category: Pyridine. It has the systematic name of 2-bromo-3-ethoxypyridine. Besides this, it is also called pyridine, 2-bromo-3-ethoxy-. And the chemical formula of this chemical is C7H8BrNO.

Physical properties of 2-Bromo-3-ethoxypyridine: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 28; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 380; (8)ACD/KOC (pH 7.4): 380; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 43.346 cm3; (15)Molar Volume: 139.351 cm3; (16)Polarizability: 17.184×10-24cm3; (17)Surface Tension: 39.06 dyne/cm; (18)Enthalpy of Vaporization: 46.698 kJ/mol; (19)Vapour Pressure: 0.036 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncccc1OCC
(2)InChI: InChI=1/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
(3)InChIKey: REVXDUVZKACDQT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
(5)Std. InChIKey: REVXDUVZKACDQT-UHFFFAOYSA-N