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116412-90-9

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Basic Information
CAS No.: 116412-90-9
Name: 3,4-DIMETHOXY-4'-BROMOBENZOPHENONE
Article Data: 2
Molecular Structure:
Molecular Structure of 116412-90-9 (3,4-DIMETHOXY-4'-BROMOBENZOPHENONE)
Formula: C15H13 Br O3
Molecular Weight: 321.16592
Synonyms: 4-Bromo-3',4'-dimethoxybenzophenone;
Density: 1.385±0.06 g/cm3(Predicted)
Melting Point: 116-119 °C
Boiling Point: 426.6±40.0 °C(Predicted)
Flash Point: 211.8oC
PSA: 35.53000
LogP: 3.69730
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Chemistry

Molecular Structure of 4-Bromo-3',4'-dimethoxybenzophenone (CAS No.116412-90-9):
 
Molecular Formula: C15H13BrO3
Molecular Weight: 321.1659
CAS No: 116412-90-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.579
Molar Refractivity: 77.09 cm3
Molar Volume: 231.7 cm3
Surface Tension: 42.2 dyne/cm
Density: 1.385 g/cm3
Flash Point: 211.8 °C
Enthalpy of Vaporization: 68.15 kJ/mol
Boiling Point: 426.6 °C at 760 mmHg
Vapour Pressure: 1.74E-07 mmHg at 25°C
InChI: InChI=1/C15H13BrO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKey: JJNXGNYHLQVEAC-UHFFFAOYAH
Std. InChI: InChI=1S/C15H13BrO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
Std. InChIKey: JJNXGNYHLQVEAC-UHFFFAOYSA-N
Synonyms of 4-Bromo-3',4'-dimethoxybenzophenone (CAS No.116412-90-9): (4-Bromophenyl)(3,4-dimethoxyphenyl)methanone ; 4-Bromo-3',4'-dimethoxybenzophenone    
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