Molecular Structure of 4-(3-Bromophenyl)-2-chloropyrimidine (CAS NO.499195-47-0):
Systematic Name: 4-(3-Bromophenyl)-2-chloropyrimidine
SMILES: Clc2nc(c1cc(Br)ccc1)ccn2
InChI: InChI=1/C10H6BrClN2/c11-8-3-1-2-7(6-8)9-4-5-13-10(12)14-9/h1-6H
InChIKey: LPJSTRAUAIMYQZ-UHFFFAOYAV
Empirical Formula: C10H6BrClN2
Molecular Weight: 269.525
Nominal Mass: 268
Average Mass: 269.525
Monoisotopic Mass: 267.940281
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.622
Molar Refractivity: 59.612 cm3
Molar Volume: 169.301 cm3
Surface Tension: 52.302 dyne/cm
Density: 1.592 g/cm3
Flash Point: 197.818 °C
Enthalpy of Vaporization: 62.929 kJ/mol
Boiling Point: 403.48 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
4-(3-Bromophenyl)-2-chloropyrimidine (CAS NO.499195-47-0), its Synonym is Pyrimidine, 4-(3-bromophenyl)-2-chloro- .
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