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Molecular structure of 3-(2-Bromoethyl)oxazolo[4,5-b]pyridin-2(3H)-one (CAS NO.134336-95-1) is:
Product Name: 3-(2-Bromoethyl)oxazolo[4,5-b]pyridin-2(3H)-one
CAS Registry Number: 134336-95-1
Systematic Name: 3-(2-bromoethyl)[1,3]oxazolo[4,5-b]pyridin-2(3H)-one
Molecular Formula: C8H7BrN2O2
Molecular Weight: 243.06
Melting Point: 84 °C
Index of Refraction: 1.621
Molar Refractivity: 49.65 cm3
Molar Volume: 141.1 cm3
Surface Tension: 60 dyne/cm
Density: 1.722 g/cm3
Flash Point: 165.4 °C
Enthalpy of Vaporization: 59.44 kJ/mol
Boiling Point: 349.9 °C at 760 mmHg
Vapour Pressure: 4.56E-05 mmHg at 25°C
SMILES: BrCCN1c2ncccc2OC1=O
InChI: InChI=1/C8H7BrN2O2/c9-3-5-11-7-6(13-8(11)12)2-1-4-10-7/h1-2,4H,3,5H2
InChIKey: WYKFNKAPXYINNF-UHFFFAOYAW
Std. InChI: InChI=1S/C8H7BrN2O2/c9-3-5-11-7-6(13-8(11)12)2-1-4-10-7/h1-2,4H,3,5H2
Std. InChIKey: WYKFNKAPXYINNF-UHFFFAOYSA-N