4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate

4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate

CAS: 1156-51-0

Formula: C17H14N2O2

SMILES: CC(C)(C1=CC=C(OC#N)C=C1)C1=CC=C(OC#N)C=C1

IUPAC: 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate

InChI: InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3

Composition: C (73.37%), H (5.07%), N (10.07%), O (11.50%)

Molar Mass: 278.311

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.105527699
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AHZMUXQJTGRNHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.16
Topological Polar Surface Area	66.04
Polarizability	30.07
Ring Count	2
Rotatable Bond Count	4

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