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CAS No.: | 10235-65-1 |
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Name: | 4,6-DICHLORO-2-(2-PYRIDINYL)PYRIMIDINE |
Molecular Structure: | |
Formula: | C9H5Cl2N3 |
Molecular Weight: | 226.065 |
Synonyms: | Pyrimidine,4,6-dichloro-2-(2-pyridyl)- (8CI);4,6-Dichloro-2-(2-pyridyl)pyrimidine;4,6-Dichloro-2-(pyridin-2-yl)pyrimidine; |
Density: | 1.428 g/cm3 |
Boiling Point: | 254.534 °C at 760 mmHg |
Flash Point: | 132.361 °C |
PSA: | 38.67000 |
LogP: | 2.84540 |
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The Pyrimidine, 4, 6-dichloro-2-(2-pyridinyl)-, with the CAS registry number 10235-65-1, is also known as 4, 6-Dichloro-2-(2-pyridinyl)pyrimidine. This chemical's molecular formula is C9H5Cl2N3 and molecular weight is 226.06. What's more, its systematic name is 4, 6-dichloro-2-(pyridin-2-yl)pyrimidine.
Physical properties about Pyrimidine, 4, 6-dichloro-2-(2-pyridinyl)- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 49; (7)ACD/KOC (pH 5.5): 564; (8)ACD/KOC (pH 7.4): 564; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 54.909 cm3; (15)Molar Volume: 158.291 cm3; (16)Polarizability: 21.767×10-24 cm3; (17)Surface Tension: 56.936 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 132.361 °C; (20)Enthalpy of Vaporization: 47.208 kJ/mol; (21)Boiling Point: 254.534 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)nc(n1)c2ncccc2
(2) InChI: InChI=1/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H
(3) InChIKey: NBAPGMJZRHWJAA-UHFFFAOYAD