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57054-90-7

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Basic Information
CAS No.: 57054-90-7
Name: 5-Bromo-2-chloro-4-(1-pyrrolidinyl)pyrimidine
Molecular Structure:
Molecular Structure of 57054-90-7 (5-Bromo-2-chloro-4-(1-pyrrolidinyl)pyrimidine)
Formula: C8H9BrClN3
Molecular Weight: 262.53416
Synonyms: pyrimidine,5-bromo-2-chloro-4-(1-pyrrolidinyl)-;5-Bromo-2-chloro-4-morpholinopyrimidine;
Density: 1.656 g/cm3
Boiling Point: 395.889 °C at 760 mmHg
Flash Point: 193.227 °C
PSA: 29.02000
LogP: 2.55770
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Specification

The 5-Bromo-2-chloro-4-(1-pyrrolidinyl)pyrimidine with CAS registry number of 57054-90-7 is also called pyrimidine,5-bromo-2-chloro-4-(1-pyrrolidinyl)-. In addition, the formula is C8H9BrClN3 and the molecular weight is 262.53416. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.927; (4)ACD/LogD (pH 7.4): 1.927; (5)ACD/BCF (pH 5.5): 17.155; (6)ACD/BCF (pH 7.4): 17.164; (7)ACD/KOC (pH 5.5): 266.16; (8)ACD/KOC (pH 7.4): 266.29; (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: 1.614; (14)Molar Refractivity: 55.225 cm3; (15)Molar Volume: 158.546 cm3; (16)Polarizability: 21.893 ×10-24cm3; (17)Surface Tension: 59.324 dyne/cm; (18)Density: 1.656 g/cm3; (19)Flash Point: 193.227 °C; (20)Enthalpy of Vaporization: 64.611 kJ/mol; (21)Boiling Point: 395.889 °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)N2CCCC2)Br
(2)InChI: InChI=1/C8H9BrClN3/c9-6-5-11-8(10)12-7(6)13-3-1-2-4-13/h5H,1-4H2
(3)InChIKey: DZUHQNZYRAYTGU-UHFFFAOYAY