5-(4-chlorophenyl)-2-(3-methylphenoxy)pyrimidine

5-(4-chlorophenyl)-2-(3-methylphenoxy)pyrimidine

CAS: 477890-45-2

Formula: C17H13ClN2O

SMILES: CC1=CC=CC(OC2=NC=C(C=N2)C2=CC=C(Cl)C=C2)=C1

IUPAC: 5-(4-chlorophenyl)-2-(3-methylphenoxy)pyrimidine

InChI: InChI=1S/C17H13ClN2O/c1-12-3-2-4-16(9-12)21-17-19-10-14(11-20-17)13-5-7-15(18)8-6-13/h2-11H,1H3

Composition: C (68.81%), H (4.42%), Cl (11.95%), N (9.44%), O (5.39%)

Molar Mass: 296.75

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	296.0716407
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DVADJDFKSKVXSM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.89
Topological Polar Surface Area	35.01
Polarizability	33.47
Ring Count	3
Rotatable Bond Count	3

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