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

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

CAS: 5211-44-9

Formula: C7H2F4O2S

SMILES: OC(=O)C1=C(F)C(F)=C(S)C(F)=C1F

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

InChI: InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)

Composition: C (37.18%), H (0.89%), F (33.60%), O (14.15%), S (14.18%)

Molar Mass: 226.14

Atom Count: 16

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.97116313
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	USFMEWZQIHKRDP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.19
Topological Polar Surface Area	37.3
Polarizability	15.15
Ring Count	1
Rotatable Bond Count	1

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