Molecular Structure of 4-Chloro-5-fluoro-2-pyrimidinamine (CAS No. 1683-75-6):
Systematic Name: 4-Chloro-5-fluoropyrimidin-2-amine
Molecular Formula: C4H3ClFN3
Molecular Weight: 147.54
CAS Registry Number: 1683-75-6
Index of Refraction: 1.583
Molar Refractivity: 31.56 cm3
Molar Volume: 94.3 cm3
Surface Tension: 61.7 dyne/cm
Density: 1.564 g/cm3
Flash Point: 148.3 °C
Enthalpy of Vaporization: 56.34 kJ/mol
Boiling Point: 321.7 °C at 760 mmHg
Vapour Pressure: 0.000294 mmHg at 25°C
Product Categories: PYRIMIDINE
Structure Descriptors of 4-Chloro-5-fluoro-2-pyrimidinamine (CAS No. 1683-75-6):
SMILES: Fc1cnc(nc1Cl)N
InChI: InChI=1/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
InChIKey: JJSZXRDRSOBWAD-UHFFFAOYAA
Std. InChI: InChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
Std. InChIKey: JJSZXRDRSOBWAD-UHFFFAOYSA-N
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