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| CAS No.: | 205320-02-1 |
|---|---|
| Name: | 4-Chloro-N,2-dimethoxy-N-methylbenzamide |
| Molecular Structure: | |
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| Formula: | C10H12ClNO3 |
| Molecular Weight: | 229.6602 |
| Synonyms: | SKL865;4-chloro-N,2-dimethoxy-N-methylbenzamide;4-Chloro-2,N-diMethoxy-N-Methyl-benzaMide;Benzamide, 4-chloro-N,2-dimethoxy-N-methyl- |
| EINECS: | 200-589-5 |
| Density: | 1.227 g/cm3 |
| Boiling Point: | 388 °C at 760 mmHg |
| Flash Point: | 188.4 °C |
| PSA: | 38.77000 |
| LogP: | 1.98200 |
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Specification
The systematic name of this chemical is 4-Chloro-N,2-dimethoxy-N-methylbenzamide. It has CAS registry number 205320-02-1. In addition, its molecular formula is C10H12ClNO3 and molecular weight is 229.6602.
Physical properties about the 4-Chloro-N,2-dimethoxy-N-methylbenzamide are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.97; (6)ACD/BCF (pH 7.4): 25.97; (7)ACD/KOC (pH 5.5): 358.18; (8)ACD/KOC (pH 7.4): 358.18; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 57.95 cm3; (15)Molar Volume: 187 cm3; (16)Surface Tension: 39.9 dyne/cm; (17)Density: 1.227 g/cm3; (18)Flash Point: 188.4 °C; (19)Enthalpy of Vaporization: 63.71 kJ/mol; (20)Boiling Point: 388 °C at 760 mmHg; (21)Vapour Pressure: 3.17E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1OC)N(C)OC
(2) InChI: InChI=1/C10H12ClNO3/c1-12(15-3)10(13)8-5-4-7(11)6-9(8)14-2/h4-6H,1-3H3
(3) InChIKey: FBQWJRHUICABKO-UHFFFAOYAT