2,3,5,6-tetrafluoro-4-methylbenzoic acid

2,3,5,6-tetrafluoro-4-methylbenzoic acid

CAS: 652-32-4

Formula: C8H4F4O2

SMILES: CC1=C(F)C(F)=C(C(O)=O)C(F)=C1F

IUPAC: 2,3,5,6-tetrafluoro-4-methylbenzoic acid

InChI: InChI=1S/C8H4F4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)

Composition: C (46.17%), H (1.94%), F (36.52%), O (15.38%)

Molar Mass: 208.112

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.014742021
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	COOULIOYEXBFDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.22
Topological Polar Surface Area	37.3
Polarizability	13.85
Ring Count	1
Rotatable Bond Count	1

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