ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate

CAS: 78979-64-3

Formula: C12H10N2O4S

SMILES: CCOC(=O)C1=CSC(=N1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C12H10N2O4S/c1-2-18-12(15)10-7-19-11(13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3

Composition: C (51.79%), H (3.62%), N (10.07%), O (23.00%), S (11.52%)

Molar Mass: 278.28

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.036127984
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XQBNPFPSRBLFHV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.09
Topological Polar Surface Area	82.33
Polarizability	26.61
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	78979-64-3		$298.08-$1,781.24$298.08$521.64$1,781.24