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| CAS No.: | 59158-04-2 |
|---|---|
| Name: | N-(4-Chloro-3-methylphenyl)-3-amino-4-chlorobenzamide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H12Cl2N2O |
| Molecular Weight: | 295.168 |
| Synonyms: | N-(4-Chloro-3-Methylphenyl)-3-Amino-4-Chloro-Benzamide;3-amino-4-chloro-N-(3-chloro-2-methylphenyl)benzamide;3-Amino-3,4-dichloro-2-methylbenzanilide;3-Amino-4,3-dichloro-2-methylbenzanilide |
| Density: | 1.4 g/cm3 |
| Boiling Point: | 387.5 °C at 760 mmHg |
| Flash Point: | 188.1 °C |
| PSA: | 55.12000 |
| LogP: | 4.79050 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called N-(4-Chloro-3-methylphenyl)-3-amino-4-chlorobenzamide, and its systematic name is benzamide, 3-amino-4-chloro-N-(4-chloro-3-methylphenyl)-. With the molecular formula of C14H12Cl2N2O, its molecular weight is 295.16. The CAS registry number of this chemical is 59158-04-2.
Other characteristics of the N-(4-Chloro-3-methylphenyl)-3-amino-4-chlorobenzamide can be summarised as followings: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 397.35; (6)ACD/BCF (pH 7.4): 397.39; (7)ACD/KOC (pH 5.5): 2523.93; (8)ACD/KOC (pH 7.4): 2524.18; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.12 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 79.67 cm3; (15)Molar Volume: 210.7 cm3; (16)Polarizability: 31.58×10-24cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 63.65 kJ/mol; (21)Boiling Point: 387.5 °C at 760 mmHg; (22)Vapour Pressure: 3.29E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(ccc1Cl)NC(=O)c2ccc(c(c2)N)Cl
2.InChI: InChI=1/C14H12Cl2N2O/c1-8-6-10(3-5-11(8)15)18-14(19)9-2-4-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
3.InChIKey: YTMKFJSSHLKGFQ-UHFFFAOYAB