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126401-90-9

Basic Information
CAS No.: 126401-90-9
Name: 4-BROMO-6-CHLOROPYRIMIDINE
Molecular Structure:
Molecular Structure of 126401-90-9 (4-BROMO-6-CHLOROPYRIMIDINE)
Formula: C4H2BrClN2
Molecular Weight: 193.43
Synonyms: 4-BROMO-6-CHLOROPYRIMIDINE;Pyrimidine, 4-bromo-6-chloro- (9CI);5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Density: 1.859 g/cm3
Boiling Point: 239.9 °C at 760 mmHg
Flash Point: 98.9 °C
PSA: 25.78000
LogP: 1.89250
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Specification

The CAS registry number of Pyrimidine, 4-bromo-6-chloro- is 126401-90-9. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H2BrClN2 and molecular weight is 193.4291. What's more, both its IUPAC name and systematic name are the same which is called 4-Bromo-6-chloro-pyrimidine.

Physical properties about Pyrimidine, 4-bromo-6-chloro- are: (1)ACD/LogP: 1.19; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.588; (10)Molar Refractivity: 35.02 cm3; (11)Molar Volume: 104 cm3; (12)Surface Tension: 53.9 dyne/cm; (13)Density: 1.859 g/cm3; (14)Flash Point: 98.9 °C; (15)Enthalpy of Vaporization: 45.75 kJ/mol; (16)Boiling Point: 239.9 °C at 760 mmHg; (17)Vapour Pressure: 0.0604 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ncnc1Br)Cl
(2) InChI: InChI=1/C4H2BrClN2/c5-3-1-4(6)8-2-7-3/h1-2H
(3) InChIKey: AFMQGCFSFMXMLO-UHFFFAOYAQ