Molecular structure of 8-Chloropurine (CAS NO.17587-87-0) is:
Product Name: 8-Chloropurine
CAS Registry Number: 17587-87-0
IUPAC Name: 8-chloro-7H-purine
Molecular Weight: 154.55712 [g/mol]
Molecular Formula: C5H3ClN4
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.739
Molar Refractivity: 37.69 cm3
Molar Volume: 93.4 cm3
Surface Tension: 91.3 dyne/cm
Density: 1.653 g/cm3
Flash Point: 210.6 °C
Enthalpy of Vaporization: 61.93 kJ/mol
Boiling Point: 372.2 °C at 760 mmHg
Vapour Pressure: 9.79E-06 mmHg at 25 °C
Product Categories: Purines
Canonical SMILES: C1=C2C(=NC=N1)N=C(N2)Cl
InChI: InChI=1S/C5H3ClN4/c6-5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,7,8,9,10)
InChIKey: QVCWUHVQEGPLHI-UHFFFAOYSA-N
8-Chloropurine , its cas register number is 17587-87-0. It also can be called 8-Chloro-7H-purine ; 9H-Purine, 8-chloro- .
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