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| CAS No.: | 461432-22-4 |
|---|---|
| Name: | (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone |
| Molecular Structure: | |
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| Formula: | C15H12BrClO2 |
| Molecular Weight: | 339.616 |
| Synonyms: | (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone; |
| EINECS: | 630-623-9 |
| Density: | 1.438 g/cm3 |
| Boiling Point: | 439.162 °C at 760 mmHg |
| Flash Point: | 219.397 °C |
| PSA: | 26.30000 |
| LogP: | 4.73220 |
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Specification
The systematic name of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone is (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone. With the CAS registry number 461432-22-4, it is also named as Methanone,(5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-. The product's category is API Intermediates. In addition, its molecular formula is C15H12BrClO2 and molecular weight is 339.61.
The other characteristics of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone can be summarized as: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2844; (6)ACD/BCF (pH 7.4): 2844; (7)ACD/KOC (pH 5.5): 10325; (8)ACD/KOC (pH 7.4): 10325; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 79.942 cm3; (15)Molar Volume: 236.193 cm3; (16)Polarizability: 31.692×10-24cm3; (17)Surface Tension: 44.41 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 219.397 °C; (20)Enthalpy of Vaporization: 69.607 kJ/mol; (21)Boiling Point: 439.162 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2c(C(=O)c1ccc(OCC)cc1)cc(Br)cc2
(2)InChI: InChI=1/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
(3)InChIKey: OEURLNJEQCLGPS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
(5)Std. InChIKey: OEURLNJEQCLGPS-UHFFFAOYSA-N