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CAS No.: | 188345-25-7 |
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Name: | 3,4-DIFLUORO-N-METHOXY-N-METHYLBENZAMIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H9F2NO2 |
Molecular Weight: | 201.173 |
Synonyms: | 3,4-Difluoro-N-methoxy-N-methylbenzamide;3,4-Difluoro-N-methyl-N-methoxybenzamide; |
Density: | 1.261 g/cm3 |
Boiling Point: | 315.1 °C at 760 mmHg |
Flash Point: | 144.4 °C |
PSA: | 29.54000 |
LogP: | 1.59820 |
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This chemical is called Benzamide, 3,4-difluoro-N-methoxy-N-methyl-, and its systematic name is 3,4-difluoro-N-methoxy-N-methyl-benzamide. With the molecular formula of C9H9F2NO2, its molecular weight is 201.17. The CAS registry number of this chemical is 188345-25-7.
Other characteristics of the Benzamide, 3,4-difluoro-N-methoxy-N-methyl- can be summarised as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.25; (6)ACD/BCF (pH 7.4): 14.25; (7)ACD/KOC (pH 5.5): 233.11; (8)ACD/KOC (pH 7.4): 233.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 46.36 cm3; (15)Molar Volume: 159.5 cm3; (16)Polarizability: 18.38×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 55.63 kJ/mol; (21)Boiling Point: 315.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000447 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CN(C(=O)c1ccc(c(c1)F)F)OC
2.InChI: InChI=1/C9H9F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
3.InChIKey: FDVLMFYILRWQOV-UHFFFAOYAB