2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

CAS: 115311-32-5

Formula: C11H6F3NO2S

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

IUPAC: 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)

Composition: C (48.36%), H (2.21%), F (20.86%), N (5.13%), O (11.71%), S (11.73%)

Molar Mass: 273.23

Atom Count: 24

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.0071341
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OMMDRDBAUFWKPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.23
Topological Polar Surface Area	50.19
Polarizability	22.02
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	115311-32-5		$51.35-$612.89$51.35$63.37$86.31$130.01$204.30$612.89