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| CAS No.: | 285158-15-8 |
|---|---|
| Name: | N-[4-Bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide |
| Molecular Structure: | |
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| Formula: | C15H10BrCl2NO2 |
| Molecular Weight: | 387.06 |
| Synonyms: | N-[4-Bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide |
| Density: | 1.611 g/cm3 |
| Boiling Point: | 575.3 °C at 760 mmHg |
| Flash Point: | 301.7 °C |
| PSA: | 46.17000 |
| LogP: | 4.58380 |
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Specification
This chemical is called N-[4-Bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide, and it can also be named as Acetamide, N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloro-. With the molecular formula of C15H10BrCl2NO2, its molecular weight is 387.06. The CAS registry number of this chemical is 285158-15-8, and its product categories are API Intermediates; Pharmaceutical Intermediates; (Intermediate of Phenazepam).
Other characteristics of the N-[4-Bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide can be summarised as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6196.73; (6)ACD/BCF (pH 7.4): 6195.96; (7)ACD/KOC (pH 5.5): 18031.09; (8)ACD/KOC (pH 7.4): 18028.83; (9)#H bond acceptors: 3 #H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 37.38 Å2; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 87.75 cm3; (14)Molar Volume: 240.1 cm3; (15)Polarizability: 34.78×10-24cm3; (16)Surface Tension: 55.4 dyne/cm; (17)Density: 1.611 g/cm3; (18)Flash Point: 301.7 °C; (19)Enthalpy of Vaporization: 86.17 kJ/mol; (20)Boiling Point: 575.3 °C at 760 mmHg; (21)Vapour Pressure: 3.08E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(c(NC(=O)CCl)cc1)C(=O)c2ccccc2Cl
2.InChI: InChI=1/C15H10BrCl2NO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)
3.InChIKey: BXAWZJZMYSSHAK-UHFFFAOYAV