[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methyl 3-(trifluoromethyl)benzoate

[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methyl 3-(trifluoromethyl)benzoate

CAS: 338777-00-7

Formula: C18H10Cl2F3NO3

SMILES: FC(F)(F)C1=CC=CC(=C1)C(=O)OCC1=NOC(=C1)C1=CC(Cl)=C(Cl)C=C1

IUPAC: [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methyl 3-(trifluoromethyl)benzoate

InChI: InChI=1S/C18H10Cl2F3NO3/c19-14-5-4-10(7-15(14)20)16-8-13(24-27-16)9-26-17(25)11-2-1-3-12(6-11)18(21,22)23/h1-8H,9H2

Composition: C (51.95%), H (2.42%), Cl (17.04%), F (13.69%), N (3.37%), O (11.53%)

Molar Mass: 416.18

Atom Count: 37

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	414.9989831
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NMYHIMMTROWXDI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.21
Topological Polar Surface Area	52.33
Polarizability	36.24
Ring Count	3
Rotatable Bond Count	6

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