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CAS No.: | 111841-05-5 |
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Name: | 2-BROMO-1-(5-CHLORO-2-METHOXY-PHENYL)-ETHANONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H8BrClO2 |
Molecular Weight: | 263.518 |
Synonyms: | 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone; |
Density: | 1.549 g/cm3 |
Boiling Point: | 326.3 °C at 760 mmHg |
Flash Point: | 151.1 °C |
PSA: | 26.30000 |
LogP: | 2.92620 |
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The Ethanone,2-bromo-1-(5-chloro-2-methoxyphenyl)- has the CAS registry number 111841-05-5. This chemical's molecular formula is C9H8BrClO2 and molecular weight is 263.52. What's more, its systematic name is 2-bromo-1-(5-chloro-2-methoxyphenyl)ethanone.
Physical properties of Ethanone,2-bromo-1-(5-chloro-2-methoxyphenyl)- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 55.58 cm3; (9)Molar Volume: 170 cm3; (10)Polarizability: 22.03×10-24cm3; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 1.549 g/cm3; (13)Flash Point: 151.1 °C; (14)Enthalpy of Vaporization: 56.85 kJ/mol; (15)Boiling Point: 326.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000218 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Cl)C(=O)CBr
(2)InChI: InChI=1S/C9H8BrClO2/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4H,5H2,1H3
(3)InChIKey: LKMDYDGPEROASV-UHFFFAOYSA-N