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1150617-80-3

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Basic Information
CAS No.: 1150617-80-3
Name: 5-Bromo-3-methoxy-2-methylpyridine
Article Data: 5
Molecular Structure:
Molecular Structure of 1150617-80-3 (5-Bromo-3-methoxy-2-methylpyridine)
Formula: C7H8BrNO
Molecular Weight: 202.0485
Synonyms: 5-bromo-3-methoxy-2-methylpyridine
Density: 1.452 g/cm3
Boiling Point: 218.613 °C at 760 mmHg
Flash Point: 86.014 °C
PSA: 22.12000
LogP: 2.16110
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Specification

The CAS registry number of 5-Bromo-3-methoxy-2-methylpyridine is 1150617-80-3. The IUPAC name is 5-Bromo-3-methoxy-2-methylpyridine. In addition, the formula is C7H8BrNO and the molecular weight is 202.0485.

Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.367; (4)ACD/LogD (pH 7.4): 2.373; (5)ACD/BCF (pH 5.5): 36.938; (6)ACD/BCF (pH 7.4): 37.482; (7)ACD/KOC (pH 5.5): 458.975; (8)ACD/KOC (pH 7.4): 465.731; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 43.538 cm3; (15)Molar Volume: 139.119 cm3; (16)Polarizability: 17.26 ×10-24cm3; (17)Surface Tension: 38.363 dyne/cm; (18)Density: 1.452 g/cm3; (19)Flash Point: 86.014 °C; (20)Enthalpy of Vaporization: 43.648 kJ/mol; (21)Boiling Point: 218.613 °C at 760 mmHg; (22)Vapour Pressure: 0.184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cc(cn1)Br)OC
(2)InChI: InChI=1/C7H8BrNO/c1-5-7(10-2)3-6(8)4-9-5/h3-4H,1-2H3
(3)InChIKey: FAWLCNSUYFGYMF-UHFFFAOYAQ