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Basic Information
CAS No.: 62880-67-5
Name: 5-BROMO-2-CHLORO-4-(1-PIPERIDINYL)PYRIMIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 62880-67-5 (5-BROMO-2-CHLORO-4-(1-PIPERIDINYL)PYRIMIDINE)
Formula: C9H11BrClN3
Molecular Weight: 276.563
Synonyms: 5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine;
Density: 1.569 g/cm3
Boiling Point: 406.443 °C at 760 mmHg
Flash Point: 199.61 °C
PSA: 29.02000
LogP: 2.94780
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Specification

The Pyrimidine, 5-bromo-2-chloro-4-(1-piperidinyl)-, with the CAS registry number of 62880-67-5, is also known as 5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine. This chemical's molecular formula is C9H11BrClN3 and molecular weight is 276.56074. What's more, its IUPAC name is 5-Bromo-2-chloro-4-piperidin-1-ylpyrimidine.

Physical properties about are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.452; (4)ACD/LogD (pH 7.4): 2.454; (5)ACD/BCF (pH 5.5): 42.925; (6)ACD/BCF (pH 7.4): 43.169; (7)ACD/KOC (pH 5.5): 512.391; (8)ACD/KOC (pH 7.4): 515.303; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 59.837 cm3; (15)Molar Volume: 176.284 cm3; (16)Polarizability: 23.721×10-24 cm3; (17)Surface Tension: 55.007 dyne/cm; (18)Density: 1.569 g/cm3; (19)Flash Point: 199.61 °C; (20)Enthalpy of Vaporization: 65.818 kJ/mol; (21)Boiling Point: 406.443 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(nc(n1)Cl)N2CCCCC2)Br
(2) InChI: InChI=1/C9H11BrClN3/c10-7-6-12-9(11)13-8(7)14-4-2-1-3-5-14/h6H,1-5H2
(3) InChIKey: DRBOKBVIEFICHN-UHFFFAOYAP