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| CAS No.: | 2012-77-3 |
|---|---|
| Name: | 2-(2,3-DICHLOROPHENYL)PROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8Cl2O2 |
| Molecular Weight: | 219.067 |
| Synonyms: | Hydratropicacid, 2,3-dichloro- (7CI,8CI);2-(2,3-dichlorophenyl)propanoic acid;benzeneacetic acid, 2,3-dichloro-α-methyl-; |
| Density: | 1.386 g/cm3 |
| Boiling Point: | 316.8 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| PSA: | 37.30000 |
| LogP: | 3.18150 |
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Specification
The Benzeneacetic acid,2,3-dichloro-a-methyl-, with the CAS registry number 2012-77-3, has the systematic name of 2-(2,3-dichlorophenyl)propanoic acid. And the molecular formula of this chemical is C9H8Cl2O2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetic acid,2,3-dichloro-a-methyl- are as following: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 51.79 cm3; (15)Molar Volume: 158 cm3; (16)Polarizability: 20.53×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 145.4 °C; (20)Enthalpy of Vaporization: 58.93 kJ/mol; (21)Boiling Point: 316.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000168 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cccc1Cl)C(C)C(O)=O
(2)InChI: InChI=1/C9H8Cl2O2/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5H,1H3,(H,12,13)
(3)InChIKey: IJTIXYUWVKWMPA-UHFFFAOYAU