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2-(2-phenyl-1,3-thiazol-4-yl)benzoic acid

2-(2-phenyl-1,3-thiazol-4-yl)benzoic acid

CAS: 60510-56-7

Formula: C16H11NO2S

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

IUPAC: 2-(2-phenyl-1,3-thiazol-4-yl)benzoic acid

InChI: InChI=1S/C16H11NO2S/c18-16(19)13-9-5-4-8-12(13)14-10-20-15(17-14)11-6-2-1-3-7-11/h1-10H,(H,18,19)

Composition: C (68.31%), H (3.94%), N (4.98%), O (11.37%), S (11.40%)

Molar Mass: 281.33

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 281.051049772
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KJTDLBFUDMTJMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.39
Topological Polar Surface Area 50.19
Polarizability 31.67
Ring Count 3
Rotatable Bond Count 3

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95% <2 Days 60510-56-7 $51.35-$2,245.09$51.35$63.37$86.31$476.33$748.36$2,245.09
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