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CAS No.: | 178813-78-0 |
---|---|
Name: | 2,6-DICHLORO-3-FLUOROBENZOIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H3Cl2FO2 |
Molecular Weight: | 209.004 |
Synonyms: | 2,6-Dichloro-3-fluorobenzoicacid;NSC 190306; |
Density: | 1.606 g/cm3 |
Boiling Point: | 301.1 °C at 760 mmHg |
Flash Point: | 135.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 37.30000 |
LogP: | 2.83070 |
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This chemical is called Benzoic acid, 2,6-dichloro-3-fluoro-, and its systematic name is 2,6-dichloro-3-fluorobenzoic acid. With the molecular formula of C7H3Cl2FO2, its molecular weight is 209.00. The CAS registry number of this chemical is 178813-78-0.
Other characteristics of the Benzoic acid, 2,6-dichloro-3-fluoro- can be summarised as followings: (1)ACD/LogP: 2.52; (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: 26.3 Å2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 42.96 cm3; (13)Molar Volume: 130 cm3; (14)Polarizability: 17.03×10-24cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.606 g/cm3; (17)Flash Point: 135.9 °C; (18)Enthalpy of Vaporization: 57.15 kJ/mol; (19)Boiling Point: 301.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000477 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(C(=O)O)c(Cl)c(F)cc1
2.InChI: InChI=1/C7H3Cl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)
3.InChIKey: NMFMJSSFYLXQAO-UHFFFAOYAV