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52605-98-8

Basic Information
CAS No.: 52605-98-8
Name: Pyridine, 5-bromo-2,3-dimethoxy-
Molecular Structure:
Molecular Structure of 52605-98-8 (Pyridine, 5-bromo-2,3-dimethoxy-)
Formula: C7H8BrNO2
Molecular Weight: 218.05
Synonyms: 5-Bromo-2, 3-dimethoxypyridine;
EINECS:
Density: 1.485 g/cm3
Melting Point:
Boiling Point: 222.676 °C at 760 mmHg
Flash Point: 88.471 °C
Solubility:
Appearance:
Hazard Symbols: Xn
Risk Codes: 22
Safety:
Transport Information:
PSA: 31.35000
LogP: 1.86130
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Specification

The Pyridine, 5-bromo-2, 3-dimethoxy-, with the CAS registry number 52605-98-8, is also known as 2, 3-Dimethoxy-5-bromopyridine. This chemical's molecular formula is C7H8BrNO2 and molecular weight is 218.05. What's more, its systematic name is 5-Bromo-2, 3-dimethoxypyridine.

Physical properties about Pyridine, 5-bromo-2, 3-dimethoxy- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 109; (6)ACD/BCF (pH 7.4): 109; (7)ACD/KOC (pH 5.5): 1001; (8)ACD/KOC (pH 7.4): 1001; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.391 cm3; (15)Molar Volume: 146.847 cm3; (16)Polarizability: 17.995×10-24 cm3; (17)Surface Tension: 38.277 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 88.471 °C; (20)Enthalpy of Vaporization: 44.046 kJ/mol; (21)Boiling Point: 222.676 °C at 760 mmHg; (22)Vapour Pressure: 0.149 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ncc(Br)cc1OC
(2) InChI: InChI=1/C7H8BrNO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3
(3) InChIKey: VSXDRIVAPWWONE-UHFFFAOYAS