ethyl 2,3,4,5,6-pentafluorobenzoate

ethyl 2,3,4,5,6-pentafluorobenzoate

CAS: 4522-93-4

Formula: C9H5F5O2

SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

IUPAC: ethyl 2,3,4,5,6-pentafluorobenzoate

InChI: InChI=1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3

Composition: C (45.02%), H (2.10%), F (39.56%), O (13.33%)

Molar Mass: 240.129

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.020970216
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DFUDMSIRGGTHGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.91
Topological Polar Surface Area	26.3
Polarizability	15.83
Ring Count	1
Rotatable Bond Count	3

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