4-fluoro-3-(trifluoromethoxy)benzoic acid

4-fluoro-3-(trifluoromethoxy)benzoic acid

CAS: 886496-49-7

Formula: C8H4F4O3

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

IUPAC: 4-fluoro-3-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H4F4O3/c9-5-2-1-4(7(13)14)3-6(5)15-8(10,11)12/h1-3H,(H,13,14)

Composition: C (42.88%), H (1.80%), F (33.91%), O (21.42%)

Molar Mass: 224.111

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.009656641
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PTPKGMXRSREZFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.6
Topological Polar Surface Area	46.53
Polarizability	14.8
Ring Count	1
Rotatable Bond Count	3

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