3,5-bis(trifluoromethyl)phenyl butanoate

3,5-bis(trifluoromethyl)phenyl butanoate

CAS: 144632-97-3

Formula: C12H10F6O2

SMILES: CCCC(=O)OC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: 3,5-bis(trifluoromethyl)phenyl butanoate

InChI: InChI=1S/C12H10F6O2/c1-2-3-10(19)20-9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h4-6H,2-3H2,1H3

Composition: C (48.01%), H (3.36%), F (37.97%), O (10.66%)

Molar Mass: 300.2

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.05849854
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SZDTXXIMPIOKPY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.37
Topological Polar Surface Area	26.3
Polarizability	21.2
Ring Count	1
Rotatable Bond Count	6

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97%	<2 Days	144632-97-3		$12.83-$166.84$12.83$44.92$166.84