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214263-01-1

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Basic Information
CAS No.: 214263-01-1
Name: 1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID, 98
Molecular Structure:
Molecular Structure of 214263-01-1 (1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID, 98)
Formula: C12H12ClFO2
Molecular Weight: 242.677
Synonyms: 1-(2-Chloro-4-fluorophenyl)cyclopentanecarboxylic acid;1-(2-Chloro-4-fluorophenyl)cyclopentane-1-carboxylate;
Density: 1.2282 (estimate)
Boiling Point: 361.9 °C at 760 mmHg
Flash Point: 172.7 °C
PSA: 37.30000
LogP: 3.37550
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Specification

The CAS registry number of Cyclopentanecarboxylic acid, 1-(2-chloro-4-fluorophenyl)- is 214263-01-1. The IUPAC name is 1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxylate. In addition, the molecular formula is C12H12ClFO2 and the molecular weight is 242.66. What's more, it is a kind of white to light beige granules or powder and should be stored in a cool and dry place.

Physical properties about Cyclopentanecarboxylic acid, 1-(2-chloro-4-fluorophenyl)- are: (1)ACD/LogP: 2.88; (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: 172.7 °C; (8)Enthalpy of Vaporization: 64.13 kJ/mol; (9)Boiling Point: 361.9 °C at 760 mmHg; (10)Vapour Pressure: 7.18E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C2(c1c(Cl)cc(F)cc1)CCCC2
(2)InChI: InChI=1/C12H12ClFO2/c13-10-7-8(14)3-4-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)/p-1
(3)InChIKey: RKEURCWSQHENQO-REWHXWOFAD