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

Name
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
EINECS
CAS No. 122450-96-8
Article Data10
CAS DataBase
Density 1.772 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂O₂
Boiling Point 403.9 °C at 760 mmHg
Molecular Weight 229.033
Flash Point 198 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-broMo-naphthalene
PSA 51.22000
LogP 1.31300

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

The 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,7-bromo- has CAS registry number 122450-96-8. Its molecular formula is C₇H₅BrN₂O₂ and molecular weight is 229.0308. What's more, its systematic name is 7-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one.

Physical properties about the 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,7-bromo- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.64; (6)ACD/BCF (pH 7.4): 15.6; (7)ACD/KOC (pH 5.5): 249.19; (8)ACD/KOC (pH 7.4): 248.56; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.22 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 44.68 cm³; (15)Molar Volume: 129.2 cm³; (16)Surface Tension: 55.5 dyne/cm; (17)Density: 1.772 g/cm³; (18)Flash Point: 198 °C; (19)Enthalpy of Vaporization: 65.52 kJ/mol; (20)Boiling Point: 403.9 °C at 760 mmHg; (21)Vapour Pressure: 9.86E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2OCC(=O)Nc2nc1
(2) InChI: InChI=1/C7H5BrN2O2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5/h1-2H,3H2,(H,9,10,11)
(3) InChIKey: ATRMUPKQFDRURR-UHFFFAOYAT

Product Name

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

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

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