5-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid

5-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid

Formula: C8H3ClF4O2

SMILES: OC(=O)C1=CC(Cl)=C(C=C1F)C(F)(F)F

IUPAC: 5-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H3ClF4O2/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H,14,15)

Composition: C (39.62%), H (1.25%), Cl (14.62%), F (31.33%), O (13.19%)

Molar Mass: 242.55

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.9757697
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KQKOUBKHCIQIHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.31
Topological Polar Surface Area	37.3
Polarizability	16.01
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H3ClF4O2		Quote Only