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5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

CAS: 522646-43-1

Formula: C11H8FNO2S

SMILES: CC1=NC(C(O)=O)=C(S1)C1=C(F)C=CC=C1

IUPAC: 5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C11H8FNO2S/c1-6-13-9(11(14)15)10(16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)

Composition: C (55.69%), H (3.40%), F (8.01%), N (5.90%), O (13.49%), S (13.51%)

Molar Mass: 237.25

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.025977839
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ODCOWPJBSKLCIC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.73
Topological Polar Surface Area 50.19
Polarizability 22.88
Ring Count 2
Rotatable Bond Count 2

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