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CAS No.: | 1245647-33-9 |
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Name: | 1-(3-Bromobenzyl)imidazolidine-2,4-dione |
Molecular Structure: | |
Formula: | C10H9BrN2O2 |
Molecular Weight: | 269.09 |
Synonyms: | 1-[(3-Bromophenyl)methyl]imidazolidine-2,4-dione;2,4-Imidazolidinedione, 1-[(3-bromophenyl)methyl]-; |
Density: | 1.648 g/cm3 |
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The 1-(3-Bromobenzyl)imidazolidine-2,4-dione, with the CAS registry number 1245647-33-9, is also known as 2,4-Imidazolidinedione, 1-[(3-bromophenyl)methyl]-. This chemical's molecular formula is C10H9BrN2O2 and molecular weight is 269.09. What's more, its systematic name is 1-[(3-bromophenyl)methyl]imidazolidine-2,4-dione.
Physical properties of 1-(3-Bromobenzyl)imidazolidine-2,4-dione are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.687; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 11.265; (6)ACD/BCF (pH 7.4): 10.592; (7)ACD/KOC (pH 5.5): 196.942; (8)ACD/KOC (pH 7.4): 185.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.41 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 57.868 cm3; (15)Molar Volume: 163.293 cm3; (16)Polarizability: 22.94×10-24cm3; (17)Surface Tension: 57.866 dyne/cm; (18)Density: 1.648 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)Br)CN2CC(=O)NC2=O
(2)InChI: InChI=1S/C10H9BrN2O2/c11-8-3-1-2-7(4-8)5-13-6-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
(3)InChIKey: JIDMDXHUOYNXDG-UHFFFAOYSA-N