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CAS No.: | 65999-53-3 |
---|---|
Name: | 2-(2-bromophenyl)acetamide |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H8BrNO |
Molecular Weight: | 214.062 |
Synonyms: | benzeneacetamide, 2-bromo-; 2-(2-Bromophenyl) acetamide |
Density: | 1.537 g/cm3 |
Boiling Point: | 370.7 °C at 760 mmHg |
Flash Point: | 178 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 43.09000 |
LogP: | 2.17720 |
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This chemical is called 2-(2-Bromophenyl)acetamide, and its systematic name is 2-(2-Bromophenyl)acetamide. With the molecular formula of C8H8BrNO, its molecular weight is 214.06. The CAS registry number of the chemical is 65999-53-3.
Other characteristics of 2-(2-Bromophenyl)acetamide can be summarised as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.99; (6)ACD/BCF (pH 7.4): 4.99; (7)ACD/KOC (pH 5.5): 109.92; (8)ACD/KOC (pH 7.4): 109.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 47.05 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 18.65×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.537 g/cm3; (19)Flash Point: 178 °C; (20)Enthalpy of Vaporization: 61.76 kJ/mol; (21)Boiling Point: 370.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccccc1CC(=O)N
2.InChI: InChI=1/C8H8BrNO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
3.InChIKey: DSZYKMGSRABUEN-UHFFFAOYAA
4.Std. InChI: InChI=1S/C8H8BrNO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
5.Std. InChIKey: DSZYKMGSRABUEN-UHFFFAOYSA-N