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1189897-44-6

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Basic Information
CAS No.: 1189897-44-6
Name: Acetochlor D11
Molecular Structure:
Molecular Structure of 1189897-44-6 (Acetochlor D11)
Formula: C14H9ClD11NO2
Molecular Weight: 280.83
Synonyms: Acetochlor-D11 (2-ethyl-6-methylphenyl-D11);2-Chloro-N-(ethoxy-methyl)-N-(2-ethyl-6-methylphenyl-d11)acetamid;2-Chloro-N-(ethoxy-methyl)-N-(2-ethyl-6-methylphenyl-d11)acetamide;
Density: 1.166 g/cm3
Boiling Point: 391.456 °C at 760 mmHg
Flash Point: 190.546 °C
Appearance: Pale-straw oil
Hazard Symbols: Xn,N
Risk Codes: 20-37/38-43-50/53
Safety: 36/37-60-61
PSA: 29.54000
LogP: 3.12320
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Specification

The Acetochlor D11, with the CAS registry number 1189897-44-6, is also known as 2-Chloro-N-(ethoxy-methyl)-N-(2-ethyl-6-methylphenyl-d11)acetamid. This chemical's molecular formula is C14H9ClD11NO2 and molecular weight is 280.83. What's more, its systematic name is 2-Chloro-N-(ethoxymethyl)-N-[2-(2H5)ethyl-6-(2H3)methyl(2H3)phenyl]acetamide and it belongs to the product categories of Aromatics Compounds; Aromatics; Isotope Labeled Compounds.

Physical properties of Acetochlor D11 are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.518; (6)ACD/BCF (pH 7.4): 122.525; (7)ACD/KOC (pH 5.5): 1087.266; (8)ACD/KOC (pH 7.4): 1087.331; (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: 75.463 cm3; (15)Molar Volume: 240.904 cm3; (16)Polarizability: 29.916×10-24 cm3; (17)Surface Tension: 40.059 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 190.546 °C; (20)Enthalpy of Vaporization: 64.107 kJ/mol; (21)Boiling Point: 391.456 °C at 760 mmHg.

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