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

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

CAS: 1176036-01-3

Formula: C10H6Cl2N2O2S

SMILES: OC(=O)C1=CSC(NC2=C(Cl)C=CC(Cl)=C2)=N1

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

InChI: InChI=1S/C10H6Cl2N2O2S/c11-5-1-2-6(12)7(3-5)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)

Composition: C (41.54%), H (2.09%), Cl (24.52%), N (9.69%), O (11.07%), S (11.09%)

Molar Mass: 289.13

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.952704
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GRZJALQTWNPLAW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.72
Topological Polar Surface Area 62.22
Polarizability 25.13
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1176036-01-3 $51.35-$86.31$51.35$63.37$86.31
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