3-hydroxy-4-(trifluoromethyl)benzoic acid

3-hydroxy-4-(trifluoromethyl)benzoic acid

CAS: 126541-87-5

Formula: C8H5F3O3

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

IUPAC: 3-hydroxy-4-(trifluoromethyl)benzoic acid

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

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	2
InChIKey	ZZSMIPAVTZJPHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.27
Topological Polar Surface Area	57.53
Polarizability	14.76
Ring Count	1
Rotatable Bond Count	2

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