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1899-99-6

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Basic Information
CAS No.: 1899-99-6
Name: 2-Chloro-4-methoxy-6-methyl-5-nitropyrimidine
Article Data: 5
Molecular Structure:
Molecular Structure of 1899-99-6 (2-Chloro-4-methoxy-6-methyl-5-nitropyrimidine)
Formula: C6H6ClN3O3
Molecular Weight: 203.585
Synonyms: pyrimidine, 2-chloro-4-methoxy-6-methyl-5-nitro-;
Density: 1.455 g/cm3
Boiling Point: 371.366 °C at 760 mmHg
Flash Point: 178.396 °C
PSA: 80.83000
LogP: 1.87840
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Specification

The 2-Chloro-4-methoxy-6-methyl-5-nitropyrimidine, also known as Pyrimidine, 2-chloro-4-methoxy-6-methyl-5-nitro-, is the organic compound with the formula C6H6ClN3O3. With the CAS registry number 1899-99-6, its systematic name is 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine.

Physical properties of 2-Chloro-4-methoxy-6-methyl-5-nitropyrimidine: (1)ACD/LogP: 0.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 36; (5)ACD/KOC (pH 7.4): 36; (6)#H bond acceptors: 6; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.562; (9)Molar Refractivity: 45.379 cm3; (10)Molar Volume: 139.951 cm3; (11)Surface Tension: 55.065 dyne/cm; (12)Density: 1.455 g/cm3; (13)Flash Point: 178.396 °C; (14)Enthalpy of Vaporization: 59.409 kJ/mol; (15)Boiling Point: 371.366 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(Cl)nc(OC)c1[N+]([O-])=O
(2)InChI: InChI=1/C6H6ClN3O3/c1-3-4(10(11)12)5(13-2)9-6(7)8-3/h1-2H3
(3)InChIKey: PNVXPMQAFHWYMN-UHFFFAOYAF