4-cyanophenyl 4-butylbenzoate

4-cyanophenyl 4-butylbenzoate

CAS: 38690-77-6

Formula: C18H17NO2

SMILES: CCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N

IUPAC: 4-cyanophenyl 4-butylbenzoate

InChI: InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3

Composition: C (77.40%), H (6.13%), N (5.01%), O (11.45%)

Molar Mass: 279.339

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.125928791
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XQRFASOUJIKXRE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	82.43
Topological Polar Surface Area	50.09
Polarizability	31.6
Ring Count	2
Rotatable Bond Count	6

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