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

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

CAS: 886368-65-6

Formula: C11H6F3NO3S

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

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

InChI: InChI=1S/C11H6F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-15-8(5-19-9)10(16)17/h1-5H,(H,16,17)

Composition: C (45.68%), H (2.09%), F (19.71%), N (4.84%), O (16.59%), S (11.08%)

Molar Mass: 289.23

Atom Count: 25

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.00204872
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LVFNYXNUAQRSFP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.32
Topological Polar Surface Area	59.42
Polarizability	22.81
Ring Count	2
Rotatable Bond Count	4

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