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124959-28-0

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Basic Information
CAS No.: 124959-28-0
Name: 2-Chloro-4-(2-furyl)pyrimidine
Article Data: 12
Molecular Structure:
Molecular Structure of 124959-28-0 (2-Chloro-4-(2-furyl)pyrimidine)
Formula: C8H5ClN2O
Molecular Weight: 180.5911
Synonyms: 2-Chloro-4-(2-furyl)pyrimidine;
Density: 1.329 g/cm3
Melting Point: 81.5 °C
Boiling Point: 342.328 °C at 760 mmHg
Flash Point: 160.834 °C
Risk Codes:  Harmful:;
">  Harmful:;
Safety: 26
PSA: 38.92000
LogP: 2.39000
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Specification

The Pyrimidine, 2-chloro-4-(2-furanyl)-, with the CAS registry number of 124959-28-0, is also known as 2-Chloro-4-fur-2-ylpyrimidine. This chemical's molecular formula is C8H5ClN2O and molecular weight is 180.5911. What's more, its systematic name is called 2-Chloro-4-(furan-2-yl)pyrimidine.

Physical properties about Pyrimidine, 2-chloro-4-(2-furanyl)- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 123; (8)ACD/KOC (pH 7.4): 123; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 44.222 cm3; (15)Molar Volume: 135.911 cm3; (16)Surface Tension: 48.56 dyne/cm; (17)Density: 1.329 g/cm3; (18)Flash Point: 160.834 °C; (19)Enthalpy of Vaporization: 56.288 kJ/mol; (20)Boiling Point: 342.328 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nccc(n1)c2ccco2
(2) InChI: InChI=1/C8H5ClN2O/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H
(3) InChIKey: BLFCXYJTVFTNRX-UHFFFAOYAD