4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid

4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid

CAS: 886366-96-7

Formula: C10H6FNO2S

SMILES: OC(=O)C1=NC(=CS1)C1=CC=C(F)C=C1

IUPAC: 4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid

InChI: InChI=1S/C10H6FNO2S/c11-7-3-1-6(2-4-7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14)

Composition: C (53.81%), H (2.71%), F (8.51%), N (6.27%), O (14.33%), S (14.36%)

Molar Mass: 223.22

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.010327774
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ADTZSCPHZARMBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	50.19
Polarizability	21.12
Ring Count	2
Rotatable Bond Count	2

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