2-fluoro-4-sulfanylbenzoic acid

2-fluoro-4-sulfanylbenzoic acid

CAS: 1026347-56-7

Formula: C7H5FO2S

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

IUPAC: 2-fluoro-4-sulfanylbenzoic acid

InChI: InChI=1S/C7H5FO2S/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,11H,(H,9,10)

Composition: C (48.83%), H (2.93%), F (11.03%), O (18.58%), S (18.62%)

Molar Mass: 172.17

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.999428738
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CBDZATKHEQYKOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.54
Topological Polar Surface Area	37.3
Polarizability	15.45
Ring Count	1
Rotatable Bond Count	1

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