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CAS No.: | 94386-29-5 |
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Name: | 5-bromodihydrofuran-2(3H)-one |
Molecular Structure: | |
Formula: | C4H5BrO2 |
Molecular Weight: | 164.986 |
Synonyms: | 2(3H)-Furanone,5-bromodihydro-; |
EINECS: | 305-251-2 |
Density: | 1.821 g/cm3 |
Boiling Point: | 260.685 °C at 760 mmHg |
Flash Point: | 111.459 °C |
PSA: | 26.30000 |
LogP: | 1.04440 |
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5-Bromodihydro-2(3H)-furanone is an organic compound with the formula C4H5BrO2, and its systematic name is the same with the product name. With the CAS registry number 94386-29-5, it is also named as 2(3H)-Furanone,5-bromodihydro-. Its EINECS number is 305-251-2. In addition, the molecular weight is 164.99.
Physical properties of 5-Bromodihydro-2(3H)-furanone are: (1)ACD/LogP: -0.083; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.47; (8)ACD/KOC (pH 7.4): 21.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 27.969 cm3; (15)Molar Volume: 90.618 cm3; (16)Polarizability: 11.088×10-24cm3; (17)Surface Tension: 46.68 dyne/cm; (18)Density: 1.821 g/cm3; (19)Flash Point: 111.459 °C; (20)Enthalpy of Vaporization: 49.839 kJ/mol; (21)Boiling Point: 260.685 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(Br)CC1
(2)Std. InChI: InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7-3/h3H,1-2H2
(3)Std. InChIKey: SRXYQTZEGZGPCA-UHFFFAOYSA-N