Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)- supplier

Name
1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97
EINECS
CAS No. 214263-04-4
Density 1.1996 (estimate)
Solubility
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
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Chloro-6-fluorophenyl)cyclohexanecarboxylic acid;
PSA 37.30000
LogP 3.76560

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

Product Name

1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97

Cyclohexanecarboxylic acid, 1-(2-chloro-6-fluorophenyl)- Specification

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