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- Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)-
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| Name |
Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)- |
EINECS | N/A |
| CAS No. | 214263-04-4 | Density | 1.1996 (estimate) |
| PSA | 37.30000 | LogP | 3.76560 |
| Solubility | N/A | Melting Point |
128 °C |
| Formula | C13H13ClFO2 | Boiling Point | 382.6 °C at 760 mmHg |
| Molecular Weight | 256.55 | Flash Point | 185.2 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(2-Chloro-6-fluorophenyl)cyclohexanecarboxylic acid; |
Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)- Specification
The Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)-, with CAS registry number 214263-04-4, has the systematic name of 1-(2-chloro-6-fluorophenyl)cyclohexanecarboxylate. This chemical is a kind of white crystalline powder. And the chemical formula of this chemical is C13H13ClFO2.
Physical properties of Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)-: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 37.3 Å2; (7)Flash Point: 185.2 °C; (8)Enthalpy of Vaporization: 66.57 kJ/mol; (9)Boiling Point: 382.6 °C at 760 mmHg; (10)Vapour Pressure: 1.54E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C2(c1c(F)cccc1Cl)CCCCC2
(2)InChI: InChI=1/C13H14ClFO2/c14-9-5-4-6-10(15)11(9)13(12(16)17)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,16,17)/p-1
(3)InChIKey: YOCRQRLRAGTUCP-REWHXWOFAT
(4)Std. InChI: InChI=1S/C13H14ClFO2/c14-9-5-4-6-10(15)11(9)13(12(16)17)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,16,17)/p-1
(5)Std. InChIKey: YOCRQRLRAGTUCP-UHFFFAOYSA-M
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