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2-(trifluoromethoxy)benzoic acid

2-(trifluoromethoxy)benzoic acid

CAS: 150436-84-3

Formula: C8H5F3O3

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

IUPAC: 2-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

Composition: C (46.62%), H (2.45%), F (27.65%), O (23.29%)

Molar Mass: 206.12

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.01907851
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JMYSPFGUBNENSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.38
Topological Polar Surface Area 46.53
Polarizability 14.84
Ring Count 1
Rotatable Bond Count 3

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