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

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

CAS: 890082-13-0

Formula: C11H9ClN2O3S

SMILES: COC1=C(NC2=NC(=CS2)C(O)=O)C=C(Cl)C=C1

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

InChI: InChI=1S/C11H9ClN2O3S/c1-17-9-3-2-6(12)4-7(9)13-11-14-8(5-18-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)

Composition: C (46.40%), H (3.19%), Cl (12.45%), N (9.84%), O (16.86%), S (11.26%)

Molar Mass: 284.71

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.002241
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YOQNSXIFPRAPLW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.38
Topological Polar Surface Area	71.45
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	890082-13-0		$51.35-$86.31$51.35$63.37$86.31