5-(4-fluorophenoxymethyl)thiophene-2-carboxylic acid

5-(4-fluorophenoxymethyl)thiophene-2-carboxylic acid

CAS: 74556-80-2

Formula: C12H9FO3S

SMILES: OC(=O)C1=CC=C(COC2=CC=C(F)C=C2)S1

IUPAC: 5-[(4-fluorophenoxy)methyl]thiophene-2-carboxylic acid

InChI: InChI=1S/C12H9FO3S/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)

Composition: C (57.14%), H (3.60%), F (7.53%), O (19.03%), S (12.71%)

Molar Mass: 252.26

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.025643487
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WQUJPWHNMWTEIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.28
Topological Polar Surface Area	46.53
Polarizability	23.22
Ring Count	2
Rotatable Bond Count	4

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