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3-(difluoromethyl)-5-(trifluoromethyl)benzoic acid

3-(difluoromethyl)-5-(trifluoromethyl)benzoic acid

Formula: C9H5F5O2

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

IUPAC: 3-(difluoromethyl)-5-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C9H5F5O2/c10-7(11)4-1-5(8(15)16)3-6(2-4)9(12,13)14/h1-3,7H,(H,15,16)

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 2
Hydrogen Bond Donor Count 1
InChIKey VTAKRCVGSOFIOY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.37
Topological Polar Surface Area 37.3
Polarizability 15.75
Ring Count 1
Rotatable Bond Count 3

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