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Basic Information
CAS No.: 41244-53-5
Name: 2 , 4-BIS(BENZYLOXY)-5-BROMOPYRIMIDINE
Molecular Structure:
Molecular Structure of 41244-53-5 (2 , 4-BIS(BENZYLOXY)-5-BROMOPYRIMIDINE)
Formula: C18H15BrN2O2
Molecular Weight: 371.233
Synonyms: Pyrimidine,2,4-bis(benzyloxy)-5-bromo- (7CI);2,4-Bis(benzyloxy)-5-bromopyrimidine;5-Bromo-2,4-bis(benzyloxy)pyrimidine;NSC 82264;
Density: 1.419 g/cm3
Boiling Point: 517.4 °C at 760 mmHg
Flash Point: 266.7 °C
PSA: 44.24000
LogP: 4.39710
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Specification

The Pyrimidine, 5-bromo-2, 4-bis(phenylmethoxy)-, with the CAS registry number 41244-53-5, is also known as 2, 4-Bis(benzyloxy)-5-bromopyrimidine. This chemical's molecular formula is C18H15BrN2O2 and molecular weight is 371.23. What's more, its IUPAC name is 5-Bromo-2, 4-bis(phenylmethoxy)pyrimidine.

Physical properties about Pyrimidine, 5-bromo-2, 4-bis(phenylmethoxy)- are: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 44.24 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 92.45 cm3; (9)Molar Volume: 261.4 cm3; (10)Polarizability: 36.65×10-24 cm3; (11)Surface Tension: 52.4 dyne/cm; (12)Density: 1.419 g/cm3; (13)Flash Point: 266.7 °C; (14)Enthalpy of Vaporization: 75.99 kJ/mol; (15)Boiling Point: 517.4 °C at 760 mmHg; (16)Vapour Pressure: 2.7E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3cnc(OCc1ccccc1)nc3OCc2ccccc2
(2) InChI: InChI=1/C18H15BrN2O2/c19-16-11-20-18(23-13-15-9-5-2-6-10-15)21-17(16)22-12-14-7-3-1-4-8-14/h1-11H,12-13H2
(3) InChIKey: QMPWETJGPVPWGU-UHFFFAOYAV