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CAS No.: | 190271-88-6 |
---|---|
Name: | 2-CHLORO-5-NITRONICOTINIC ACID METHYL ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5ClN2O4 |
Molecular Weight: | 216.581 |
Synonyms: | 2-Chloro-5-nitronicotinicacid methyl ester; |
Density: | 1.5 g/cm3 |
Boiling Point: | 321.5 °C at 760 mmHg |
Flash Point: | 148.3 °C |
PSA: | 85.01000 |
LogP: | 1.95300 |
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The 3-Pyridinecarboxylicacid, 2-chloro-5-nitro-, methyl ester, with the CAS registry number 190271-88-6, is also known as Methyl 2-chloro-5-nitronicotinate. This chemical's molecular formula is C7H5ClN2O4 and molecular weight is 216.5786. Its systematic name is called methyl 2-chloro-5-nitropyridine-3-carboxylate.
Physical properties of 3-Pyridinecarboxylicacid, 2-chloro-5-nitro-, methyl ester: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 3.58; (5)ACD/BCF (pH 7.4): 3.58; (6)ACD/KOC (pH 5.5): 86.65; (7)ACD/KOC (pH 7.4): 86.65; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.572; (11)Molar Refractivity: 47.55 cm3; (12)Molar Volume: 144.3 cm3; (13)Surface Tension: 57.5 dyne/cm; (14)Density: 1.5 g/cm3; (15)Flash Point: 148.3 °C; (16)Enthalpy of Vaporization: 56.33 kJ/mol; (17)Boiling Point: 321.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000296 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(cnc1Cl)N(=O)=O
(2)InChI: InChI=1/C7H5ClN2O4/c1-14-7(11)5-2-4(10(12)13)3-9-6(5)8/h2-3H,1H3
(3)InChIKey: IPSMDDVNXJKYRH-UHFFFAOYAS