CAS No.51054-99-0,(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51054-99-0
Name:	(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester
Article Data:	7

Formula:	C₉H₁₀BrNO₂
Molecular Weight:	244.0852
Synonyms:	(3-Bromo-pyridin-4-yl)-acetic acidethylester;
Density:	1.452 g/cm³
Boiling Point:	296.305 °C at 760 mmHg
Flash Point:	133.001 °C
PSA:	39.19000
LogP:	1.94970

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Specification

The (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester, with the CAS registry number 51054-99-0, is also known as (3-Bromo-pyridin-4-yl)-acetic acidethylester. This chemical's molecular formula is C₉H₁₀BrNO₂ and molecular weight is 244.0852. What's more, its systematic name is Ethyl (3-bromopyridin-4-yl)acetate.

Physical properties about (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester are: (1)ACD/LogP: 1.95; (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): 20; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 302; (8)ACD/KOC (pH 7.4): 303; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Molar Refractivity: 52.624 cm³; (14)Molar Volume: 168.155 cm³; (15)Polarizability: 20.862×10^-24cm³; (16)Surface Tension: 43.89 dyne/cm; (17)Density: 1.452 g/cm³; (18)Flash Point: 133.001 °C; (19)Enthalpy of Vaporization: 53.608 kJ/mol; (20)Boiling Point: 296.305 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C; (22)Index of Refraction: 1.538.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnccc1CC(=O)OCC
(2) InChI: InChI=1/C9H10BrNO2/c1-2-13-9(12)5-7-3-4-11-6-8(7)10/h3-4,6H,2,5H2,1H3
(3) InChIKey: HYSNMDQIDZNCAC-UHFFFAOYAN