4-fluoro-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

4-fluoro-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

CAS: 1119452-65-1

Formula: C16H11FN2O3

SMILES: FC1=C(C=C(C=O)C=C1)C1=NOC(COC2=CC=CC=C2)=N1

IUPAC: 4-fluoro-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

InChI: InChI=1S/C16H11FN2O3/c17-14-7-6-11(9-20)8-13(14)16-18-15(22-19-16)10-21-12-4-2-1-3-5-12/h1-9H,10H2

Composition: C (64.43%), H (3.72%), F (6.37%), N (9.39%), O (16.09%)

Molar Mass: 298.273

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	298.075370385
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NPONSHQFMXUIGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.29
Topological Polar Surface Area	65.22
Polarizability	29.42
Ring Count	3
Rotatable Bond Count	5

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