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

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

CAS: 187998-95-4

Formula: C11H9ClN2O2S

SMILES: CC1=C(SC(NC2=CC=C(Cl)C=C2)=N1)C(O)=O

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

InChI: InChI=1S/C11H9ClN2O2S/c1-6-9(10(15)16)17-11(13-6)14-8-4-2-7(12)3-5-8/h2-5H,1H3,(H,13,14)(H,15,16)

Composition: C (49.17%), H (3.38%), Cl (13.19%), N (10.43%), O (11.91%), S (11.93%)

Molar Mass: 268.72

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.0073264
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LXOWNWOCCIIDNC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.66
Topological Polar Surface Area 62.22
Polarizability 24.91
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 187998-95-4 $51.35-$86.31$51.35$63.37$86.31
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