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Basic Information
CAS No.: 102910-37-2
Name: ALLYL-D5 BROMIDE
Molecular Structure:
Molecular Structure of 102910-37-2 (ALLYL-D5 BROMIDE)
Formula: C3BrD5
Molecular Weight: 126.01
Synonyms: Propene-1,1,2,3,3-d5,bromo- (6CI);
Density: 1.46 g/cm3
Boiling Point: 68.107 °C at 760 mmHg
PSA: 0.00000
LogP: 1.56730
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Specification

The Allyl-D5 bromide is an organic compound with the formula C3BrD5. The systematic name of this chemical is 3-Bromo(2H5)prop-1-ene. With the CAS registry number 102910-37-2, it is also named as -propene-1,1,2,3,3-d5, 3-bromo-.

Physical properties about Allyl-D5 bromide are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 13.502; (5)ACD/BCF (pH 7.4): 13.502; (6)ACD/KOC (pH 5.5): 224.264; (7)ACD/KOC (pH 7.4): 224.264; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 23.405 cm3; (11)Molar Volume: 86.331 cm3; (12)Polarizability: 9.278×10-24cm3; (13)Surface Tension: 24.797 dyne/cm; (14)Density: 1.46 g/cm3; (15)Enthalpy of Vaporization: 30.24 kJ/mol; (16)Boiling Point: 68.107 °C at 760 mmHg; (17)Vapour Pressure: 153.455 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C(=C([2H])C([2H])([2H])Br)[2H]
(2)InChI: InChI=1/C3H5Br/c1-2-3-4/h2H,1,3H2/i1D2,2D,3D2
(3)InChIKey: BHELZAPQIKSEDF-RHPBTXKOEE
(4)Std. InChI: InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2/i1D2,2D,3D2
(5)Std. InChIKey: BHELZAPQIKSEDF-RHPBTXKOSA-N