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2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

CAS: 72850-61-4

Formula: C5HClF3NO2S

SMILES: OC(=O)C1=C(N=C(Cl)S1)C(F)(F)F

IUPAC: 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)

Composition: C (25.93%), H (0.44%), Cl (15.31%), F (24.61%), N (6.05%), O (13.82%), S (13.84%)

Molar Mass: 231.57

Atom Count: 14

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.9368616
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OGZUWSFEZCBGPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.93
Topological Polar Surface Area 50.19
Polarizability 14.44
Ring Count 1
Rotatable Bond Count 2

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