The 2H-1,4-Benzoxazin-3(4H)-one,7-chloro-, with the CAS registry number 27320-99-6, is also known as 7-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one. This chemical's molecular formula is C8H6ClNO2 and molecular weight is 183.59. What's more, its systematic name is 7-chloro-2H-1,4-benzoxazin-3(4H)-one.
Physical properties of 2H-1,4-Benzoxazin-3(4H)-one,7-chloro- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 38.33 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 43.794 cm3; (9)Molar Volume: 131.787 cm3; (10)Surface Tension: 46.075 dyne/cm; (11)Density: 1.393 g/cm3; (12)Flash Point: 176.219 °C; (13)Enthalpy of Vaporization: 61.434 kJ/mol; (14)Boiling Point: 367.766 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: n1onc2ccccc12
(2)InChI: InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
(3)InChIKey: AWBOSXFRPFZLOP-UHFFFAOYSA-N
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