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1215073-31-6

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Basic Information
CAS No.: 1215073-31-6
Name: 5-Bromo-2-(cyclopentyl)pyrimidine
Molecular Structure:
Molecular Structure of 1215073-31-6 (5-Bromo-2-(cyclopentyl)pyrimidine)
Formula: C9H11BrN2
Molecular Weight: 226.01
Synonyms: 5-Bromo-2-(cyclopentyl)pyrimidine;Pyrimidine, 5-bromo-2-cyclopentyl-
Density: 1.5±0.1 g/cm3
Boiling Point: 290.2±13.0 °C at 760 mmHg
Flash Point: 129.3±19.8 °C
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Specification

The CAS registry number of 5-Bromo-2-(cyclopentyl)pyrimidine is 1215073-31-6. This chemical's molecular formula is C9H11BrN2 and molecular weight is 226.01. What's more, its systematic name is the same with its product name.

Physical properties about 5-Bromo-2-(cyclopentyl)pyrimidine are: (1)ACD/LogP: 2.44±0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.41; (6)ACD/BCF (pH 7.4): 42.41; (7)ACD/KOC (pH 5.5): 508.79; (8)ACD/KOC (pH 7.4): 508.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 51.4±0.3 cm3; (15)Molar Volume: 155.5±3.0 cm3; (16)Polarizability: 20.4±0.5×10-24cm3; (17)Surface Tension: 49.4±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 129.3±19.8 °C; (20)Enthalpy of Vaporization: 50.8±3.0 kJ/mol; (21)Boiling Point: 290.2±13.0 °C at 760 mmHg ; (22)Vapour Pressure: 0.0±0.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(n1)C2CCCC2)Br
(2) InChI: InChI=1S/C9H11BrN2/c10-8-5-11-9(12-6-8)7-3-1-2-4-7/h5-7H,1-4H2
(3) InChIKey: RRKTWQGIZPROBB-UHFFFAOYSA-N