4-cyanophenyl 4-ethylbenzoate

4-cyanophenyl 4-ethylbenzoate

CAS: 56131-48-7

Formula: C16H13NO2

SMILES: CCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N

IUPAC: 4-cyanophenyl 4-ethylbenzoate

InChI: InChI=1S/C16H13NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h3-10H,2H2,1H3

Composition: C (76.48%), H (5.21%), N (5.57%), O (12.73%)

Molar Mass: 251.285

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.094628663
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ULFIAHFQEURGOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.22
Topological Polar Surface Area	50.09
Polarizability	27.91
Ring Count	2
Rotatable Bond Count	4

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