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1480-89-3

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Basic Information
CAS No.: 1480-89-3
Name: 6-Fluoropurine
Article Data: 5
Molecular Structure:
Molecular Structure of 1480-89-3 (6-Fluoropurine)
Formula: C5H3 F N4
Molecular Weight: 138.104
Synonyms: 1H-Purine,6-fluoro- (9CI); Purine, 6-fluoro- (6CI,8CI); 6-Fluoropurine
Density: 1.61g/cm3
Boiling Point: 424.9°Cat760mmHg
Flash Point: 210.8°C
PSA: 54.46000
LogP: 0.49200
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Chemistry

Molecular Structure of 6-Fluoropurine (CAS NO.1480-89-3):

IUPAC Name: 6-Fluoro-7H-purine 
Molecular Formula: C5H3FN4
Molecular Weight: 138.10 
XLogP3: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 0
Tautomer Count: 4
Exact Mass: 138.034174
MonoIsotopic Mass: 138.034174
Topological Polar Surface Area: 54.5
Heavy Atom Count: 10
Complexity: 131
Index of Refraction: 1.69
Molar Refractivity: 32.79 cm3
Molar Volume: 85.7 cm3
Surface Tension: 84.8 dyne/cm
Density: 1.61 g/cm3
Flash Point: 210.8 °C
Enthalpy of Vaporization: 65.32 kJ/mol
Boiling Point: 424.9 °C at 760 mmHg
Vapour Pressure: 4.93E-07 mmHg at 25 °C
Product Categories: PYRIMIDINE; Purines
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)F
InChI: InChI=1S/C5H3FN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: LGQVOKWMIRXXDM-UHFFFAOYSA-N

Specification

 6-Fluoropurine (CAS NO.1480-89-3), its Synonyms are 1H-Purine, 6-fluoro- ; 9H-Purine, 6-fluoro- ; 1H-Purine,6-fluoro- (9CI) ; Purine, 6-fluoro- (6CI,8CI) ; 6-Fluoro-1H-purine .