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CAS No.: | 82093-18-3 |
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Name: | DICHLOROACETIC ACID-OD |
Molecular Structure: | |
Formula: | C2HDCl2O2 |
Molecular Weight: | 129.935 |
Synonyms: | Aceticacid-d, dichloro- (6CI,7CI,9CI); |
Density: | 1.638 g/cm3 |
Boiling Point: | 193.999 °C at 760 mmHg |
Flash Point: | 75.552 °C |
PSA: | 37.30000 |
LogP: | 0.87470 |
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This chemical is called Acetic acid-d, 2,2-dichloro-, and its systematic name is Dichloro(O-2H)acetic acid. With the molecular formula of C2HDCl2O2, its molecular weight is 129.95. The CAS registry number of this chemical is 82093-18-3.
Other characteristics of the Acetic acid-d, 2,2-dichloro- can be summarised as followings: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 22.536 cm3; (13)Molar Volume: 79.321 cm3; (14)Polarizability: 8.934×10-24cm3; (15)Surface Tension: 47.089 dyne/cm; (16)Density: 1.638 g/cm3; (17)Flash Point: 75.552 °C; (18)Enthalpy of Vaporization: 47.42 kJ/mol; (19)Boiling Point: 193.999 °C at 760 mmHg; (20)Vapour Pressure: 0.196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [2H]OC(=O)C(Cl)Cl
2.InChI: InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i/hD
3.InChIKey: JXTHNDFMNIQAHM-DYCDLGHIES