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CAS No.: | 149652-50-6 |
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Name: | 2-(4-Bromophenyl)-N-methoxy-N-methylacetamide |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H12BrNO2 |
Molecular Weight: | 258.115 |
Synonyms: | 2-(4-BROMOPHENYL)-N-METHOXY-N-METHYLACETAMIDE |
Density: | 1.416 g/cm3 |
Boiling Point: | 312.4 °C at 760 mmHg |
Flash Point: | 142.7 °C |
PSA: | 29.54000 |
LogP: | 2.01140 |
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This chemical is called 2-(4-Bromophenyl)-N-methoxy-N-methylacetamide. With the molecular formula of C10H12BrNO2, its molecular weight is 257.01. The CAS registry number of this chemical is 149652-50-6.
Other characteristics of the 2-(4-Bromophenyl)-N-methoxy-N-methylacetamide can be summarised as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.34; (6)ACD/BCF (pH 7.4): 29.34; (7)ACD/KOC (pH 5.5): 390.84; (8)ACD/KOC (pH 7.4): 390.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 182.1 cm3; (16)Polarizability: 23.09×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 55.34 kJ/mol; (21)Boiling Point: 312.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00053 mmHg at 25°°C
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(CC(=O)N(C)OC)cc1
2.InChI: InChI=1/C10H12BrNO2/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
3.InChIKey: ILXYGVKKXCAIIJ-UHFFFAOYAU