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CAS No.: | 260046-12-6 |
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Name: | 2-Chloro-N-(4-fluorophenyl)pyrimidin-4-amine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H7ClFN3 |
Molecular Weight: | 223.637 |
Synonyms: | (2-Chloropyrimidin-4-yl)(4-fluorophenyl)amine; |
Density: | 1.415 g/cm3 |
Boiling Point: | 398.587 °C at 760 mmHg |
Flash Point: | 194.858 °C |
PSA: | 37.81000 |
LogP: | 3.08570 |
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The 4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)-, with the CAS registry number 260046-12-6, is also known as (2-Chloropyrimidin-4-yl)(4-fluorophenyl)amine. It belongs to the product categories of Pharmacetical; Halides; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C10H7ClFN3 and molecular weight is 223.6341. What's more, its IUPAC name is 2-Chloro-N-(4-fluorophenyl)pyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.433; (4)ACD/LogD (pH 7.4): 2.433; (5)ACD/BCF (pH 5.5): 41.586; (6)ACD/BCF (pH 7.4): 41.601; (7)ACD/KOC (pH 5.5): 501.658; (8)ACD/KOC (pH 7.4): 501.846; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.81 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 56.699 cm3; (15)Molar Volume: 158.082 cm3; (16)Polarizability: 22.477×10-24 cm3; (17)Surface Tension: 55.722 dyne/cm; (18)Density: 1.415 g/cm3; (19)Flash Point: 194.858 °C; (20)Enthalpy of Vaporization: 64.919 kJ/mol; (21)Boiling Point: 398.587 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1Nc2ccnc(n2)Cl)F
(2) InChI: InChI=1/C10H7ClFN3/c11-10-13-6-5-9(15-10)14-8-3-1-7(12)2-4-8/h1-6H,(H,13,14,15)
(3) InChIKey: JAMUOHUGUQBGQA-UHFFFAOYAS