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2-Bromo-5-oxazolecarboxaldehyde

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Name

2-Bromo-5-oxazolecarboxaldehyde

EINECS N/A
CAS No. 1092352-00-5 Density 1.886 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C4H2BrNO2 Boiling Point 267.6 °C at 760 mmHg
Molecular Weight 175.9682 Flash Point 115.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1092352-00-5 (5-Oxazolecarboxaldehyde, 2-bromo-) Hazard Symbols N/A
Synonyms

2-Bromooxazole-5-carbaldehyde;

 

2-Bromo-5-oxazolecarboxaldehyde Specification

The 2-Bromo-5-oxazolecarboxaldehyde, with the CAS registry number 1092352-00-5, is also known as 2-Bromo-5-formyloxazole. This chemical's molecular formula is C4H2BrNO2 and molecular weight is 175.9682. What's more, its systematic name is 2-Bromooxazole-5-carbaldehyde.

Physical properties about 2-Bromo-5-oxazolecarboxaldehyde are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 43.1 Å2; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 31.08 cm3; (11)Molar Volume: 93.3 cm3; (12)Polarizability: 12.32×10-24 cm3; (13)Surface Tension: 52.3 dyne/cm; (14)Density: 1.886 g/cm3; (15)Flash Point: 115.6 °C; (16)Enthalpy of Vaporization: 50.56 kJ/mol; (17)Boiling Point: 267.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00808 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cnc(Br)o1
(2) InChI: InChI=1/C4H2BrNO2/c5-4-6-1-3(2-7)8-4/h1-2H
(3) InChIKey: IFGUJPMMPKLZMD-UHFFFAOYAW

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