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4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid

CAS: 254911-27-8

Formula: C16H10ClNO2S

SMILES: OC(=O)C1=CC=C(C=C1)C1=NC(=CS1)C1=CC=C(Cl)C=C1

IUPAC: 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid

InChI: InChI=1S/C16H10ClNO2S/c17-13-7-5-10(6-8-13)14-9-21-15(18-14)11-1-3-12(4-2-11)16(19)20/h1-9H,(H,19,20)

Composition: C (60.86%), H (3.19%), Cl (11.23%), N (4.44%), O (10.13%), S (10.15%)

Molar Mass: 315.77

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 315.0120774
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HJDOGESUIADVDT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.19
Topological Polar Surface Area 50.19
Polarizability 33.51
Ring Count 3
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 254911-27-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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