4-(3-chlorothiophene-2-carbonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole

4-(3-chlorothiophene-2-carbonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole

CAS: 339012-84-9

Formula: C14H6Cl3NO2S

SMILES: ClC1=C(SC=C1)C(=O)C1=CON=C1C1=C(Cl)C=CC=C1Cl

IUPAC: 4-(3-chlorothiophene-2-carbonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole

InChI: InChI=1S/C14H6Cl3NO2S/c15-8-2-1-3-9(16)11(8)12-7(6-20-18-12)13(19)14-10(17)4-5-21-14/h1-6H

Composition: C (46.89%), H (1.69%), Cl (29.66%), N (3.91%), O (8.92%), S (8.94%)

Molar Mass: 358.62

Atom Count: 27

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	356.9184827
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XHIJIPOZEBNRPS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.14
Topological Polar Surface Area	43.1
Polarizability	33.34
Ring Count	3
Rotatable Bond Count	2

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