4-[3,5-bis(trifluoromethyl)phenoxy]benzoic acid

4-[3,5-bis(trifluoromethyl)phenoxy]benzoic acid

CAS: 762286-35-1

Formula: C15H8F6O3

SMILES: OC(=O)C1=CC=C(OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=C1

IUPAC: 4-[3,5-bis(trifluoromethyl)phenoxy]benzoic acid

InChI: InChI=1S/C15H8F6O3/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)24-11-3-1-8(2-4-11)13(22)23/h1-7H,(H,22,23)

Composition: C (51.44%), H (2.30%), F (32.55%), O (13.70%)

Molar Mass: 350.216

Atom Count: 32

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	350.037763096
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WJKKJJXROCHBMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.5
Topological Polar Surface Area	46.53
Polarizability	25.67
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	762286-35-1		$239.09-$719.33$239.09$400.55$719.33