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CAS No.: | 1092352-00-5 |
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Name: | 5-Oxazolecarboxaldehyde, 2-bromo- |
Molecular Structure: | |
Formula: | C4H2BrNO2 |
Molecular Weight: | 175.9682 |
Synonyms: | 2-Bromooxazole-5-carbaldehyde; |
Density: | 1.886 g/cm3 |
Boiling Point: | 267.6 °C at 760 mmHg |
Flash Point: | 115.6 °C |
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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