4-cyanophenyl 4-propylbenzoate

4-cyanophenyl 4-propylbenzoate

CAS: 56131-49-8

Formula: C17H15NO2

SMILES: CCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N

IUPAC: 4-cyanophenyl 4-propylbenzoate

InChI: InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h4-11H,2-3H2,1H3

Composition: C (76.96%), H (5.70%), N (5.28%), O (12.06%)

Molar Mass: 265.312

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	265.110278727
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NCTWNVKZQMMLIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.83
Topological Polar Surface Area	50.09
Polarizability	29.76
Ring Count	2
Rotatable Bond Count	5

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