2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

CAS: 1017452-64-0

Formula: C10H5F2NO2S

SMILES: OC(=O)C1=CSC(=N1)C1=C(F)C=CC=C1F

IUPAC: 2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C10H5F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)

Composition: C (49.79%), H (2.09%), F (15.75%), N (5.81%), O (13.27%), S (13.29%)

Molar Mass: 241.21

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.000905905
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OTYUISIBOBUOEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.68
Topological Polar Surface Area	50.19
Polarizability	20.3
Ring Count	2
Rotatable Bond Count	2

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