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CAS No.: | 1152820-74-0 |
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Name: | (5-Bromo-2-methoxyphenyl)(phenyl)methanone |
Molecular Structure: | |
Formula: | C14H11BrO2 |
Molecular Weight: | 291.1399 |
Synonyms: | (5-Bromo-2-methoxy-phenyl)-phenyl-methanone; |
Density: | 1.401 g/cm3 |
Boiling Point: | 422.852 °C at 760 mmHg |
Flash Point: | 209.533 °C |
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The (5-Bromo-2-methoxyphenyl)(phenyl)methanone has CAS registry number 1152820-74-0. This chemical's molecular formula is C14H11BrO2 and molecular weight is 291.1399. What's more, its systematic name is (5-Bromo-2-methoxy-phenyl)-phenyl-methanone.
Physical properties about (5-Bromo-2-methoxyphenyl)(phenyl)methanone are: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.283; (4)ACD/LogD (pH 7.4): 4.283; (5)ACD/BCF (pH 5.5): 1059.058; (6)ACD/BCF (pH 7.4): 1059.058; (7)ACD/KOC (pH 5.5): 5091.402; (8)ACD/KOC (pH 7.4): 5091.402; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 70.415 cm3; (15)Molar Volume: 207.735 cm3; (16)Polarizability: 27.915×10-24 cm3; (17)Surface Tension: 43.689 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 209.533 °C; (20)Enthalpy of Vaporization: 67.709 kJ/mol; (21)Boiling Point: 422.852 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1C(=O)c2ccccc2)Br
(2) InChI: InChI=1/C14H11BrO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
(3) InChIKey: ADGOJIXMUSHYQT-UHFFFAOYAS