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

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

CAS: 1172445-60-1

Formula: C10H7ClN2O2S

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

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

InChI: InChI=1S/C10H7ClN2O2S/c11-6-2-1-3-7(4-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)

Composition: C (47.16%), H (2.77%), Cl (13.92%), N (11.00%), O (12.56%), S (12.59%)

Molar Mass: 254.69

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.9916763
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YYSATCIKIHUSJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.91
Topological Polar Surface Area 62.22
Polarizability 23.17
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1172445-60-1 $51.35-$86.31$51.35$63.37$86.31
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