Name: 1-(3-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID, 98
SKU: 214262-97-2

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Basic Information

Molecular Structure:
CAS No.:	214262-97-2
Name:	1-(3-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID, 98

Formula:	C₁₂H₁₂FO₂
Molecular Weight:	208.232
Synonyms:	1-(3-Fluorophenyl)cyclopentane-1-carboxylate;
Density:	1.1262 (estimate)
Melting Point:	149 °C
Boiling Point:	343.4 °C at 760 mmHg
Flash Point:	161.5 °C
Appearance:	pale grey crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	37.30000
LogP:	2.72210

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Specification

The 1-(3-Fluorophenyl)cyclopentane-1-carboxylate, with CAS registry number 214262-97-2, has the systematic name of 1-(3-fluorophenyl)cyclopentanecarboxylate. Besides this, it is also called 1-(3-Fluorophenyl)cyclopentanecarboxylic acid, 98. This chemical is a kind of pale grey crystalline powder. And the chemical formula of this chemical is C₁₂H₁₂FO₂.

Physical properties of 1-(3-Fluorophenyl)cyclopentane-1-carboxylate: (1)ACD/LogP: 2.73; (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: 161.5 °C; (8)Enthalpy of Vaporization: 61.98 kJ/mol; (9)Boiling Point: 343.4 °C at 760 mmHg; (10)Vapour Pressure: 2.7E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-(3-Fluorophenyl)cyclopentane-1-carboxylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C2(c1cc(F)ccc1)CCCC2
(2)InChI: InChI=1/C12H13FO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15)/p-1
(3)InChIKey: RLAKVCCLVVITLS-REWHXWOFAP
(4)Std. InChI: InChI=1S/C12H13FO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15)/p-1
(5)Std. InChIKey: RLAKVCCLVVITLS-UHFFFAOYSA-M