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

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

CAS: 54001-17-1

Formula: C11H8ClNO2S

SMILES: CC1=C(SC(=N1)C1=CC=C(Cl)C=C1)C(O)=O

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

InChI: InChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)

Composition: C (52.08%), H (3.18%), Cl (13.97%), N (5.52%), O (12.61%), S (12.64%)

Molar Mass: 253.7

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.9964274
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LZNWUXDMQPUUDR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.8
Topological Polar Surface Area 50.19
Polarizability 24.41
Ring Count 2
Rotatable Bond Count 2

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OTAVA LTD.
Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 54001-17-1 $54.74-$164.22$54.74$84.07$164.22
MFCD00141960
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 54001-17-1 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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