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3-Bromo[1,2]oxazolo[5,4-b]pyridine

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Name

3-Bromo[1,2]oxazolo[5,4-b]pyridine

EINECS N/A
CAS No. 864872-31-1 Density 1.826 g/cm3
PSA 38.92000 LogP 1.98530
Solubility N/A Melting Point N/A
Formula C6H3BrN2O Boiling Point 294.698 °C at 760 mmHg
Molecular Weight 199.01 Flash Point 132.029 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 864872-31-1 (3-Bromoisoxazolo[5,4-b]pyridine) Hazard Symbols N/A
Synonyms

3-Bromoisoxazolo[5,4-b]pyridine;

 

3-Bromo[1,2]oxazolo[5,4-b]pyridine Specification

The 3-Bromo[1,2]oxazolo[5,4-b]pyridine, with the CAS registry number 864872-31-1, is also known as 3-Bromoisoxazolo[5,4-b]pyridine. This chemical's molecular formula is C6H3BrN2O and molecular weight is 199.01. What's more, its systematic name is 3-Bromo[1,2]oxazolo[5,4-b]pyridine.

Physical properties of 3-Bromo[1,2]oxazolo[5,4-b]pyridine are: (1)ACD/LogP: 1.412; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.97; (6)ACD/BCF (pH 7.4): 6.97; (7)ACD/KOC (pH 5.5): 139.76; (8)ACD/KOC (pH 7.4): 139.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 40.268 cm3; (15)Molar Volume: 108.976 cm3; (16)Polarizability: 15.963×10-24cm3; (17)Surface Tension: 60.5 dyne/cm; (18)Density: 1.826 g/cm3; (19)Flash Point: 132.029 °C; (20)Enthalpy of Vaporization: 51.296 kJ/mol; (21)Boiling Point: 294.698 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2noc1ncccc12
(2)Std. InChI: InChI=1S/C6H3BrN2O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H
(3)Std. InChIKey: BMMIPTCIKNLMOV-UHFFFAOYSA-N

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