1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-bromo- supplier

Name
7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE
EINECS
CAS No. 105544-36-3
Article Data8
CAS DataBase
Density 1.772 g/cm³
Solubility
Melting Point 247-251 °C(Solv: ethanol (64-17-5))
Formula C₇H₅BrN₂O₂
Boiling Point 398.8 °C at 760 mmHg
Molecular Weight 229.033
Flash Point 195 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one;7-Bromo-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one;
PSA 51.22000
LogP 1.31300

1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-bromo- Specification

The 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-bromo-, with the CAS registry number 105544-36-3, is also known as 7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one. This chemical's molecular formula is C₇H₅BrN₂O₂ and molecular weight is 229.03. What's more, its IUPAC name is 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Physical properties of 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-bromo- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/BCF (pH 5.5): 23.09; (5)ACD/BCF (pH 7.4): 23.08; (6)ACD/KOC (pH 5.5): 329.31; (7)ACD/KOC (pH 7.4): 329.14; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 42.43 Å²; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 44.68 cm³; (14)Molar Volume: 129.2 cm³; (15)Surface Tension: 55.5 dyne/cm; (16)Density: 1.772 g/cm³; (17)Flash Point: 195 °C; (18)Enthalpy of Vaporization: 64.94 kJ/mol; (19)Boiling Point: 398.8 °C at 760 mmHg; (20)Vapour Pressure: 1.44E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)NC2=CC(=CN=C2O1)Br
(2)InChI: InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
(3)InChIKey: UTPFXZJAASMEDW-UHFFFAOYSA-N

Product Name

7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE

1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-bromo- Specification

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