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| CAS No.: | 226260-01-1 |
|---|---|
| Name: | 3-FLUORO-N-METHOXY-N-METHYLBENZAMIDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H10FNO2 |
| Molecular Weight: | 183.182 |
| Synonyms: | 3-FLUORO-N-METHOXY-N-METHYLBENZAMIDE |
| Density: | 1.179 g/cm3 |
| Boiling Point: | 300.5 °C at 760 mmHg |
| Flash Point: | 135.5 °C |
| PSA: | 29.54000 |
| LogP: | 1.45910 |
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Specification
The Benzamide,3-fluoro-N-methoxy-N-methyl- has CAS registry number of 226260-01-1. This chemical's molecular formula is C9H10FNO2 and molecular weight is 183.18. What's more, its systematic name is 3-Fluoro-N-methoxy-N-methylbenzamide.
Physical properties about the Benzamide,3-fluoro-N-methoxy-N-methyl- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.34; (6)ACD/BCF (pH 7.4): 11.34; (7)ACD/KOC (pH 5.5): 197.9; (8)ACD/KOC (pH 7.4): 197.9; (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: 1.509; (14)Molar Refractivity: 46.37 cm3; (15)Molar Volume: 155.2 cm3; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.179 g/cm3; (18)Flash Point: 135.5 °C; (19)Enthalpy of Vaporization: 54.06 kJ/mol; (20)Boiling Point: 300.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00112 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(F)ccc1)N(C)OC
(2) InChI: InChI=1/C9H10FNO2/c1-11(13-2)9(12)7-4-3-5-8(10)6-7/h3-6H,1-2H3
(3) InChIKey: RQOXEMMAAVCMRU-UHFFFAOYAP