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| CAS No.: | 885267-15-2 |
|---|---|
| Name: | 3-(3-Bromophenyl)cyclobutanone |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H9BrO |
| Molecular Weight: | 225.085 |
| Synonyms: | 3-(3-bromophenyl)cyclobutan-1-one;3-(3-Bromophenyl)cyclobutanone; |
| Density: | 1.522g/cm3 |
| Boiling Point: | 307.4 °C at 760 mmHg |
| Flash Point: | 100.3 °C |
| PSA: | 17.07000 |
| LogP: | 2.89560 |
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Specification
The 3-(3-Bromophenyl)cyclobutanone with cas registry number of 885267-15-2, is also called 3-(3-bromophenyl)cyclobutan-1-one.
Physical properties of 3-(3-Bromophenyl)cyclobutanone: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.8; (6)ACD/BCF (pH 7.4): 24.8; (7)ACD/KOC (pH 5.5): 346.56; (8)ACD/KOC (pH 7.4): 346.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 50.71 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 20.1×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Enthalpy of Vaporization: 54.79 kJ/mol; (19)Vapour Pressure: 0.000728 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:Brc1cccc(c1)C2CC(=O)C2; (2)InChI:InChI=1/C10H9BrO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2; (3)InChIKey:RLKCJCIUTBLVRJ-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C10H9BrO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2; (5)Std. InChIKey:RLKCJCIUTBLVRJ-UHFFFAOYSA-N.