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CAS No.: | 212636-72-1 |
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Name: | 4,6-dichloro-2-(1H-imidazol-1-yl)pyrimidine |
Molecular Structure: | |
Formula: | C7H4Cl2N4 |
Molecular Weight: | 215.04 |
Synonyms: | 4,6-Dichloro-2-(1H-imidazol-1-yl)pyrimidine; pyrimidine, 4,6-dichloro-2-(1H-imidazol-1-yl)-; LogP |
Density: | 1.632 g/cm3 |
Boiling Point: | 433.335 °C at 760 mmHg |
Flash Point: | 215.873 °C |
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The Pyrimidine, 4, 6-dichloro-2-(1H-imidazol-1-yl)- has CAS registry number 212636-72-1. This chemical's molecular formula is C7H4Cl2N4 and molecular weight is 215.04. What's more, its systematic name is 4, 6-Dichloro-2-(1H-imidazol-1-yl)pyrimidine.
Physical properties about Pyrimidine, 4, 6-dichloro-2-(1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 121; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 52.023 cm3; (15)Molar Volume: 131.763 cm3; (16)Polarizability: 20.624×10-24 cm3; (17)Surface Tension: 59.613 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 215.873 °C; (20)Enthalpy of Vaporization: 68.927 kJ/mol; (21)Boiling Point: 433.335 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)nc(n1)n2ccnc2
(2) InChI: InChI=1/C7H4Cl2N4/c8-5-3-6(9)12-7(11-5)13-2-1-10-4-13/h1-4H
(3) InChIKey: GOKCJCODOLGYQD-UHFFFAOYAJ