ethyl 4-fluorobenzoate

ethyl 4-fluorobenzoate

CAS: 451-46-7

Formula: C9H9FO2

SMILES: CCOC(=O)C1=CC=C(F)C=C1

IUPAC: ethyl 4-fluorobenzoate

InChI: InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Composition: C (64.28%), H (5.39%), F (11.30%), O (19.03%)

Molar Mass: 168.167

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.058657693
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	UMPRJGKLMUDRHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.05
Topological Polar Surface Area	26.3
Polarizability	16.29
Ring Count	1
Rotatable Bond Count	3

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