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848696-31-1

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Basic Information
CAS No.: 848696-31-1
Name: 2-(bromomethyl)-3-methoxy-6-methylpyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 848696-31-1 (2-(bromomethyl)-3-methoxy-6-methylpyridine)
Formula: C8H10BrNO
Molecular Weight: 216.077
Synonyms: 2-Bromomethyl-3-methoxy-6-methylpyridine;
Density: 1.418 g/cm3
Boiling Point: 258.36 °C at 760 mmHg
Flash Point: 110.053 °C
PSA: 22.12000
LogP: 2.29350
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Specification

The Pyridine, 2-(bromomethyl)-3-methoxy-6-methyl-, with the CAS registry number 848696-31-1, is also known as 3-(Bromomethyl)-2-methoxy-5-methylpyridine. This chemical's molecular formula is C8H10BrNO and molecular weight is 216.08. What's more, its systematic name is Pyridine, 3-(bromomethyl)-2-methoxy-5-methyl-.

Physical properties about Pyridine, 2-(bromomethyl)-3-methoxy-6-methyl- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.676; (4)ACD/LogD (pH 7.4): 2.677; (5)ACD/BCF (pH 5.5): 63.612; (6)ACD/BCF (pH 7.4): 63.732; (7)ACD/KOC (pH 5.5): 679.749; (8)ACD/KOC (pH 7.4): 681.035; (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: 1.549; (14)Molar Refractivity: 48.496 cm3; (15)Molar Volume: 152.427 cm3; (16)Polarizability: 19.225×10-24 cm3; (17)Surface Tension: 40.567 dyne/cm; (18)Density: 1.418 g/cm3; (19)Flash Point: 110.053 °C; (20)Enthalpy of Vaporization: 47.593 kJ/mol; (21)Boiling Point: 258.36 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(nc1)OC)CBr
(2) InChI: InChI=1/C8H10BrNO/c1-6-3-7(4-9)8(11-2)10-5-6/h3,5H,4H2,1-2H3
(3) InChIKey: XJNSIKSENPLHKB-UHFFFAOYAL