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| CAS No.: | 914347-40-3 |
|---|---|
| Name: | 4-Oxazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester |
| Molecular Structure: | |
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| Formula: | C6H7BrN2O3 |
| Molecular Weight: | 235.0354 |
| Synonyms: | Ethyl 2-amino-5-bromooxazole-4-carboxylate; |
| EINECS: | 604-604-1 |
| Density: | 1.699g/cm3 |
| Boiling Point: | 334.1 °C at 760 mmHg |
| Flash Point: | 155.9 °C |
| PSA: | 78.35000 |
| LogP: | 1.77720 |
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- Total:27 Page 1 of 1 1
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Specification
The 4-Oxazolecarboxylicacid, 2-amino-5-bromo-, ethyl ester, with CAS registry number 914347-40-3, belongs to the following product category: API intermediates. It has the systematic name of ethyl 2-amino-5-bromo-oxazole-4-carboxylate. And the chemical formula of this chemical is C6H7BrN2O3.
Physical properties of 4-Oxazolecarboxylicacid, 2-amino-5-bromo-, ethyl ester: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 78.35 Å2; (9)Index of Refraction: 1.563; (10)Molar Refractivity: 44.97 cm3; (11)Molar Volume: 138.3 cm3; (12)Polarizability: 17.82×10-24cm3; (13)Surface Tension: 54.8 dyne/cm; (14)Enthalpy of Vaporization: 57.71 kJ/mol; (15)Vapour Pressure: 0.00013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(oc(n1)N)Br
(2)InChI: InChI=1/C6H7BrN2O3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
(3)InChIKey: QCEFXSNXPCHIKP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H7BrN2O3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
(5)Std. InChIKey: QCEFXSNXPCHIKP-UHFFFAOYSA-N