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CAS No.: | 6794-70-3 |
---|---|
Name: | 4-(4-Bromo-phenyl)-1,3-dihydro-imidazol-2-one |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H7BrN2O |
Molecular Weight: | 239.071 |
Synonyms: | 4-(4-Bromophenyl)-1,3-dihydro-2H-imidazol-2-one; |
Density: | 1.605 g/cm3 |
PSA: | 48.65000 |
LogP: | 2.13250 |
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The CAS registry number of 4-(4-Bromo-phenyl)-1,3-dihydro-imidazol-2-one is 6794-70-3. This chemical's molecular formula is C9H7BrN2O and molecular weight is 239.06868. What's more, its systematic name is called 4-(4-Bromophenyl)-1,3-dihydro-2H-imidazol-2-one.
Physical properties about 4-(4-Bromo-phenyl)-1,3-dihydro-imidazol-2-one are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 52.396 cm3; (9)Molar Volume: 148.935 cm3; (10)Surface Tension: 47.471 dyne/cm; (11)Density: 1.605 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N\C=C(/N1)c2ccc(Br)cc2
(2) InChI: InChI=1/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
(3) InChIKey: ZQZRRGGPCCTNFN-UHFFFAOYAO