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4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)-

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Name

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)-

EINECS N/A
CAS No. 16063-03-9 Density 1.43 g/cm3
PSA 88.92000 LogP 3.28640
Solubility N/A Melting Point N/A
Formula C14H8N2O4 Boiling Point 421.7 °C at 760 mmHg
Molecular Weight 268.229 Flash Point 208.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16063-03-9 (2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one) Hazard Symbols N/A
Synonyms

4H-3,1-Benzoxazin-4-one,2-(m-nitrophenyl)- (6CI,8CI);NSC 163529;

Article Data 11

4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- Specification

The 4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- is an organic compound with the formula C14H8N2O4. The IUPAC name of this chemical is 2-(3-Nitrophenyl)-3,1-benzoxazin-4-one. With the CAS registry number 16063-03-9, it is also named as 2-(3-Nitrophenyl)-4H-3,1-benzoxazin-4-one. Besides, its molecular weight is 268.2243.

Physical properties about 4H-3,1-Benzoxazin-4-one,2-(3-nitrophenyl)- are: (1)ACD/LogP: 2.53; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 84.48 Å2; (5)Index of Refraction: 1.679; (6)Molar Refractivity: 70.37 cm3; (7)Molar Volume: 186.3 cm3; (8)Polarizability: 27.89×10-24 cm3; (9)Surface Tension: 60.9 dyne/cm; (10)Density: 1.43 g/cm3; (11)Flash Point: 208.8 °C; (12)Enthalpy of Vaporization: 67.58 kJ/mol; (13)Boiling Point: 421.7 °C at 760 mmHg; (14)Vapour Pressure: 2.55E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H
(2)InChIKey: WKYQIWUAPDQQRV-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H
(4)Std. InChIKey: WKYQIWUAPDQQRV-UHFFFAOYSA-N

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