ALACHLOR-D13

The Alachlor-d₁₃, with the CAS registry number 1015856-63-9, is also known as Acetamide, 2-chloro-N-[2, 6-di(ethyl-d₅)phenyl-3, 4, 5-d₃]-N-(methoxymethyl)-. It belongs to the product categories of Aromatics Compounds; Aromatics; Isotope Labeled Compounds. This chemical's molecular formula is C₁₄H₇ClD₁₃NO₂ and molecular weight is 282.85. What's more, its systematic name is N-{2, 6-bis[(²H₅)ethyl](²H₃)phenyl}-2-chloro-N-(methoxymethyl)acetamide. In addition, it can be used as a pre-emergence herbicide.

Physical properties about Alachlor-d₁₃ are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.62; (6)ACD/BCF (pH 7.4): 97.62; (7)ACD/KOC (pH 5.5): 924.07; (8)ACD/KOC (pH 7.4): 924.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 75.55 cm³; (15)Molar Volume: 240.9 cm³; (16)Polarizability: 29.95×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 65.54 kJ/mol; (21)Boiling Point: 404 °C at 760 mmHg; (22)Vapour Pressure: 9.74E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. And it may cause sensitisation by skin contact. In addition, this chemical is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. During using it, you should wear suitable protective clothing and gloves. If swallowed, you should seek medical advice immediately. Besides, this material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])c1c([2H])c([2H])c([2H])c(c1N(C(=O)CCl)COC)C([2H])([2H])C([2H])([2H])[2H]
(2) InChI: InChI=1/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3/i1D3,2D3,4D2,5D2,6D,7D,8D
(3) InChIKey: XCSGPAVHZFQHGE-PTKGBVOGEK