Molecule structure of 6-Bromoquinazoline (CAS NO.89892-21-7):
IUPAC Name: 6-Bromoquinazoline
Molecular Weight: 209.0427 g/mol
Molecular Formula: C8H5BrN2
Density: 1.657 g/cm3
Boiling Point: 304.254 °C at 760 mmHg
Flash Point: 137.808 °C
Index of Refraction: 1.685
Molar Refractivity: 47.968 cm3
Molar Volume: 126.182 cm3
Polarizability: 19.016×10-24 cm3
Surface Tension: 59.127 dyne/cm
Enthalpy of Vaporization: 52.285 kJ/mol
Vapour Pressure: 0.002 mmHg at 25 °C
XLogP3: 1.7
H-Bond Acceptor: 2
Exact Mass: 207.963611
MonoIsotopic Mass: 207.963611
Topological Polar Surface Area: 25.8
Heavy Atom Count: 11
Complexity: 140
Canonical SMILES: C1=CC2=NC=NC=C2C=C1Br
InChI: InChI=1S/C8H5BrN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKey of 6-Bromoquinazoline (CAS NO.89892-21-7): FLQBSQZDZFVMTO-UHFFFAOYSA-N
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