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1049706-72-0

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Basic Information
CAS No.: 1049706-72-0
Name: 3-Bromo-4-methyl-5-nitropyridin-2-ol
Article Data: 5
Molecular Structure:
Molecular Structure of 1049706-72-0 (3-Bromo-4-methyl-5-nitropyridin-2-ol)
Formula: C6H5BrN2O3
Molecular Weight: 233.021
Synonyms: 3-Bromo-4-methyl-5-nitro-pyridin-2-ol;
Density: 1.858 g/cm3
Boiling Point: 382.506 °C at 760 mmHg
Flash Point: 185.133 °C
PSA: 78.94000
LogP: 2.28950
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Specification

The 3-Bromo-4-methyl-5-nitropyridin-2-ol has CAS registry number 1049706-72-0. This chemical's molecular formula is C6H5BrN2O3 and molecular weight is 233.0195. What's more, its systematic name is 3-Bromo-4-methyl-5-nitro-pyridin-2-ol.

Physical properties about 3-Bromo-4-methyl-5-nitropyridin-2-ol are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.942; (6)ACD/KOC (pH 7.4): 1.26; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.94 Å2; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 45.286 cm3; (13)Molar Volume: 125.389 cm3; (14)Polarizability: 17.953×10-24 cm3; (15)Surface Tension: 67.992 dyne/cm; (16)Density: 1.858 g/cm3; (17)Flash Point: 185.133 °C; (18)Enthalpy of Vaporization: 65.563 kJ/mol; (19)Boiling Point: 382.506 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cnc(c1Br)O)[N+](=O)[O-]
(2) InChI: InChI=1/C6H5BrN2O3/c1-3-4(9(11)12)2-8-6(10)5(3)7/h2H,1H3,(H,8,10)
(3) InChIKey: JJTIUCLTXGGQCH-UHFFFAOYAO