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187235-13-8

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Basic Information
CAS No.: 187235-13-8
Name: (R)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL
Molecular Structure:
Molecular Structure of 187235-13-8 ((R)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL)
Formula: C6H7N3O4
Molecular Weight: 185.139
Synonyms: 5H-Imidazo[2,1-b][1,3]oxazin-6-ol,6,7-dihydro-2-nitro-, (R)-;
Density: 1.91g/cm3
Boiling Point: 446.213 °C at 760 mmHg
Flash Point: 223.7°C
PSA: 93.10000
LogP: 0.06780
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Specification

The (R)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol, with the cas registry number of 187235-13-8, is also known as (6R)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol and 5H-Imidazo[2,1-b][1,3]oxazin-6-ol, 6,7-dihydro-2-nitro-, (6R)-. Its molecular formula is C6H7N3O4 and formula weight is 185.14. What's more, its systematic name is called (6R)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol.

Physical properties about this chemical are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 93.1 Å2; (7)Index of Refraction: 1.765; (8)Molar Refractivity: 40.005 cm3; (9)Molar Volume: 96.767 cm3; (10)Surface Tension: 93.106 dyne/cm; (11)Density: 1.913 g/cm3; (12)Flash Point: 223.662 °C; (13)Enthalpy of Vaporization: 74.228 kJ/mol; (14)Boiling Point: 446.213 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1nc2OC[C@H](O)Cn2c1;
(2)InChI: InChI=1/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2/t4-/m1/s1;
(3)InChIKey: HMFPMGBWSFUHEN-SCSAIBSYBA;
(4)Std. InChI: InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2/t4-/m1/s1;
(5)Std. InChIKey: HMFPMGBWSFUHEN-SCSAIBSYSA-N.