Cyclohexanecarboxylic acid, 3-fluorophenyl ester

Compound Structure:

Synonyms:

3-Fluorophenyl cyclohexanecarboxylate; Cyclohexanecarboxylic acid, 3-fluorophenyl ester; (3-fluorophenyl) cyclohexanecarboxylate; CYCLOHEXANECARBOXYLIC ACID 3-FLUOROPHENYL ESTER

Compound ID:

NMPC-924

PubChem ID:

53401233

Molecular Formula:

C13H15FO2

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC(=CC=C2)F

InChIKey:

YDRJRZATXHNIOV-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.25 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	222.10560788 g/mol
Monoisotopic Mass	222.10560788 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Pteris togoensis

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