methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

CAS: 1391943-72-8

Formula: C15H14ClFN2O3

SMILES: COC(=O)C1=C(ON=C1C1=C(Cl)C=CC=C1F)C=CN(C)C

IUPAC: methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

InChI: InChI=1S/C15H14ClFN2O3/c1-19(2)8-7-11-13(15(20)21-3)14(18-22-11)12-9(16)5-4-6-10(12)17/h4-8H,1-3H3

Composition: C (55.48%), H (4.35%), Cl (10.92%), F (5.85%), N (8.63%), O (14.78%)

Molar Mass: 324.74

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	324.0676982
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GQJJMEASJGFUAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.58
Topological Polar Surface Area	55.57
Polarizability	31.57
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1391943-72-8		$51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05