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| CAS No.: | 40630-84-0 |
|---|---|
| Name: | Allyl bromoacetate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C5H7BrO2 |
| Molecular Weight: | 179.013 |
| Synonyms: | ALLYL BROMOACETATE;Acetic acid, broMo-, 2-propenyl ester |
| Density: | 1.457 g/cm3 |
| Boiling Point: | 175.2 °C at 760 mmHg |
| Flash Point: | 59.7 °C |
| PSA: | 26.30000 |
| LogP: | 1.11050 |
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Specification
This chemical is called Allyl bromoacetate, and its systematic name is prop-2-en-1-yl bromoacetate. With the molecular formula of C5H7BrO2, its molecular weight is 179.01. The CAS registry number of this chemical is 40630-84-0.
Other characteristics of the Allyl bromoacetate can be summarised as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.59; (6)ACD/BCF (pH 7.4): 11.59; (7)ACD/KOC (pH 5.5): 201.04; (8)ACD/KOC (pH 7.4): 201.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 34.44 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 13.65×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.457 g/cm3; (19)Flash Point: 59.7 °C; (20)Enthalpy of Vaporization: 41.15 kJ/mol; (21)Boiling Point: 175.2 °C at 760 mmHg; (22)Vapour Pressure: 1.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCC(=O)OC\C=C
2.InChI: InChI=1/C5H7BrO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
3.InChIKey: MUWVIMJPXKIXJK-UHFFFAOYAR