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| CAS No.: | 122334-37-6 |
|---|---|
| Name: | 4-Chloro-N-methoxy-N-methylacetamide |
| Article Data: | 66 |
| Molecular Structure: | |
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| Formula: | C9H10ClNO2 |
| Molecular Weight: | 199.637 |
| Synonyms: | Benzamide, 4-chloro-N-methoxy-N-methyl-; |
| Density: | 1.224 g/cm3 |
| Boiling Point: | 334.2 °C at 760 mmHg |
| Flash Point: | 155.9 °C |
| PSA: | 29.54000 |
| LogP: | 1.97340 |
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Specification
The 4-Chloro-N-methoxy-N-methylacetamide, with the CAS registry number of 122334-37-6, is also known as Benzamide, 4-chloro-N-methoxy-N-methyl-. Its molecular formula is C9H10ClNO2 and molecular weight is 199.63. What's more, its IUPAC name is 4-Chloro-N-methoxy-N-methylbenzamide.
Physical properties about the 4-Chloro-N-methoxy-N-methylacetamide are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.74; (6)ACD/BCF (pH 7.4): 27.74; (7)ACD/KOC (pH 5.5): 375.51; (8)ACD/KOC (pH 7.4): 375.51; (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: 1.541; (14)Molar Refractivity: 51.27 cm3; (15)Molar Volume: 163 cm3; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.224 g/cm3; (18)Flash Point: 155.9 °C; (19)Enthalpy of Vaporization: 57.71 kJ/mol; (20)Boiling Point: 334.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00013 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)N(OC)C
(2) InChI: InChI=1/C9H10ClNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
(3) InChIKey: LHUOAIXJPPMULP-UHFFFAOYAB