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

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

Formula: C11H8ClNO2S

SMILES: CC1=C(SC(=N1)C1=CC=CC=C1Cl)C(O)=O

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

InChI: InChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/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 XLBHXZVHSAASRX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.8
Topological Polar Surface Area 50.19
Polarizability 24.42
Ring Count 2
Rotatable Bond Count 2

Suppliers

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OTAVA LTD.
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Purity LeadTime Formula PacketSize UnitPrice
95% <10 Days C11H8ClNO2S $256.11-$733.13$256.11$351.90$589.43$733.13
MFCD00665647
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C11H8ClNO2S Quote Only
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H8ClNO2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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