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442910-43-2

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Basic Information
CAS No.: 442910-43-2
Name: 2-BROMOMETHYL-4-NITROPYRIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 442910-43-2 (2-BROMOMETHYL-4-NITROPYRIDINE)
Formula: C6H5BrN2O2
Molecular Weight: 217.02
Synonyms: 2-Bromomethyl-4-nitropyridine;
Density: 1.75 g/cm3
Boiling Point: 308.3 °C at 760 mmHg
Flash Point: 140.2 °C
PSA: 58.71000
LogP: 2.40790
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Specification

The Pyridine, 2-(bromomethyl)-4-nitro-, with the CAS registry number 442910-43-2, is also known as 2-Bromomethyl-4-nitropyridine. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.02. What's more, its systematic name is 2-(Bromomethyl)-5-nitro-pyridine.

Physical properties about Pyridine, 2-(bromomethyl)-4-nitro- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 58.71 Å2; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 43.53 cm3; (11)Molar Volume: 123.9 cm3; (12)Polarizability: 17.25×10-24 cm3; (13)Surface Tension: 60.5 dyne/cm; (14)Density: 1.75 g/cm3; (15)Flash Point: 140.2 °C; (16)Enthalpy of Vaporization: 52.7 kJ/mol; (17)Boiling Point: 308.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00125 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(cn1)[N+]([O-])=O
(2) InChI: InChI=1/C6H5BrN2O2/c7-3-5-1-2-6(4-8-5)9(10)11/h1-2,4H,3H2
(3) InChIKey: IODCATCUKODATB-UHFFFAOYAA